7-bromo-N-(2-methoxyphenyl)-3-phenylmethoxynaphthalene-2-carboxamide;7-bromo-N-(2-methoxyphenyl)-3-prop-2-enoxynaphthalene-2-carboxamide;N-(3-hydroxynaphthalen-2-yl)-2-methoxybenzamide

C64H53Br2N3O9 — CID 157466359

IUPAC7-bromo-N-(2-methoxyphenyl)-3-phenylmethoxynaphthalene-2-carboxamide;7-bromo-N-(2-methoxyphenyl)-3-prop-2-enoxynaphthalene-2-carboxamide;N-(3-hydroxynaphthalen-2-yl)-2-methoxybenzamide
SMILESC=CCOc1cc2ccc(Br)cc2cc1C(=O)Nc1ccccc1OC.COc1ccccc1C(=O)Nc1cc2ccccc2cc1O.COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1OCc1ccccc1
InChIInChI=1S/C25H20BrNO3.C21H18BrNO3.C18H15NO3/c1-29-23-10-6-5-9-22(23)27-25(28)21-14-19-13-20(26)12-11-18(19)15-24(21)30-16-17-7-3-2-4-8-17;1-3-10-26-20-13-14-8-9-16(22)11-15(14)12-17(20)21(24)23-18-6-4-5-7-19(18)25-2;1-22-17-9-5-4-8-14(17)18(21)19-15-10-12-6-2-3-7-13(12)11-16(15)20/h2-15H,16H2,1H3,(H,27,28);3-9,11-13H,1,10H2,2H3,(H,23,24);2-11,20H,1H3,(H,19,21)
InChIKeyBUNIQMATVZOIEX-UHFFFAOYSA-N
MW1167.95 g/mol
LogP15.68
Rot. Bonds15

About 7-bromo-N-(2-methoxyphenyl)-3-phenylmethoxynaphthalene-2-carboxamide;7-bromo-N-(2-methoxyphenyl)-3-prop-2-enoxynaphthalene-2-carboxamide;N-(3-hydroxynaphthalen-2-yl)-2-methoxybenzamide

7-bromo-N-(2-methoxyphenyl)-3-phenylmethoxynaphthalene-2-carboxamide;7-bromo-N-(2-methoxyphenyl)-3-prop-2-enoxynaphthalene-2-carboxamide;N-(3-hydroxynaphthalen-2-yl)-2-methoxybenzamide (PubChem CID 157466359) has the molecular formula C64H53Br2N3O9 and a molecular weight of 1167.95 g/mol. Its IUPAC name is 7-bromo-N-(2-methoxyphenyl)-3-phenylmethoxynaphthalene-2-carboxamide;7-bromo-N-(2-methoxyphenyl)-3-prop-2-enoxynaphthalene-2-carboxamide;N-(3-hydroxynaphthalen-2-yl)-2-methoxybenzamide.

Molecular Properties

Compound Name7-bromo-N-(2-methoxyphenyl)-3-phenylmethoxynaphthalene-2-carboxamide;7-bromo-N-(2-methoxyphenyl)-3-prop-2-enoxynaphthalene-2-carboxamide;N-(3-hydroxynaphthalen-2-yl)-2-methoxybenzamide
PubChem CID157466359
Molecular FormulaC64H53Br2N3O9
Molecular Weight1167.95 g/mol
Exact Mass1165.21
IUPAC Name7-bromo-N-(2-methoxyphenyl)-3-phenylmethoxynaphthalene-2-carboxamide;7-bromo-N-(2-methoxyphenyl)-3-prop-2-enoxynaphthalene-2-carboxamide;N-(3-hydroxynaphthalen-2-yl)-2-methoxybenzamide
SMILESC=CCOc1cc2ccc(Br)cc2cc1C(=O)Nc1ccccc1OC.COc1ccccc1C(=O)Nc1cc2ccccc2cc1O.COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1OCc1ccccc1
InChIInChI=1S/C25H20BrNO3.C21H18BrNO3.C18H15NO3/c1-29-23-10-6-5-9-22(23)27-25(28)21-14-19-13-20(26)12-11-18(19)15-24(21)30-16-17-7-3-2-4-8-17;1-3-10-26-20-13-14-8-9-16(22)11-15(14)12-17(20)21(24)23-18-6-4-5-7-19(18)25-2;1-22-17-9-5-4-8-14(17)18(21)19-15-10-12-6-2-3-7-13(12)11-16(15)20/h2-15H,16H2,1H3,(H,27,28);3-9,11-13H,1,10H2,2H3,(H,23,24);2-11,20H,1H3,(H,19,21)
InChIKeyBUNIQMATVZOIEX-UHFFFAOYSA-N
XLogP15.68
TPSA153.68 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001167.95
LogP ≤ 515.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-methoxy-N-(2-phenylmethoxyphenyl)benzamide
CID 17094328
2-phenylmethoxy-N-(2-prop-2-enoxyphenyl)benzamide
CID 17098011
5-bromo-2-methoxy-N'-(2-prop-2-enoxybenzoyl)benzohydrazide
CID 17094423
methyl 7-bromo-3-phenylmethoxynaphthalene-2-carboxylate
CID 166501120
CID 131880000
CID 131880000
[6-bromo-3-[(2-methoxyphenyl)carbamoyl]naphthalen-2-yl] sulfate
CID 51386880
5-bromo-2-ethoxy-N-(2-prop-2-enoxyphenyl)benzamide
CID 17098043
N-(2-hydroxy-5-methylphenyl)-2-phenylmethoxybenzamide
CID 4946343
3-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]naphthalene-2-carboxamide
CID 24588283
7-bromo-N-(2-methoxyphenyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalene-2-carboxamide
CID 3524093
3-[(2R,3S,4S,5R,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-bromo-N-(2-methoxyphenyl)naphthalene-2-carboxamide
CID 125463012
3-[(2S,3R,4S,5R,6S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-bromo-N-(2-methoxyphenyl)naphthalene-2-carboxamide
CID 98046988

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(2-methoxyphenyl)-3-phenylmethoxynaphthalene-2-carboxamide;7-bromo-N-(2-methoxyphenyl)-3-prop-2-enoxynaphthalene-2-carboxamide;N-(3-hydroxynaphthalen-2-yl)-2-methoxybenzamide?
The IUPAC name of 7-bromo-N-(2-methoxyphenyl)-3-phenylmethoxynaphthalene-2-carboxamide;7-bromo-N-(2-methoxyphenyl)-3-prop-2-enoxynaphthalene-2-carboxamide;N-(3-hydroxynaphthalen-2-yl)-2-methoxybenzamide (CID 157466359) is 7-bromo-N-(2-methoxyphenyl)-3-phenylmethoxynaphthalene-2-carboxamide;7-bromo-N-(2-methoxyphenyl)-3-prop-2-enoxynaphthalene-2-carboxamide;N-(3-hydroxynaphthalen-2-yl)-2-methoxybenzamide.
What is the SMILES notation for 7-bromo-N-(2-methoxyphenyl)-3-phenylmethoxynaphthalene-2-carboxamide;7-bromo-N-(2-methoxyphenyl)-3-prop-2-enoxynaphthalene-2-carboxamide;N-(3-hydroxynaphthalen-2-yl)-2-methoxybenzamide?
The canonical SMILES for 7-bromo-N-(2-methoxyphenyl)-3-phenylmethoxynaphthalene-2-carboxamide;7-bromo-N-(2-methoxyphenyl)-3-prop-2-enoxynaphthalene-2-carboxamide;N-(3-hydroxynaphthalen-2-yl)-2-methoxybenzamide is C=CCOc1cc2ccc(Br)cc2cc1C(=O)Nc1ccccc1OC.COc1ccccc1C(=O)Nc1cc2ccccc2cc1O.COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1OCc1ccccc1.
What is the InChIKey of 7-bromo-N-(2-methoxyphenyl)-3-phenylmethoxynaphthalene-2-carboxamide;7-bromo-N-(2-methoxyphenyl)-3-prop-2-enoxynaphthalene-2-carboxamide;N-(3-hydroxynaphthalen-2-yl)-2-methoxybenzamide?
The InChIKey is BUNIQMATVZOIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20BrNO3.C21H18BrNO3.C18H15NO3/c1-29-23-10-6-5-9-22(23)27-25(28)21-14-19-13-20(26)12-11-18(19)15-24(21)30-16-17-7-3-2-4-8-17;1-3-10-26-20-13-14-8-9-16(22)11-15(14)12-17(20)21(24)23-18-6-4-5-7-19(18)25-2;1-22-17-9-5-4-8-14(17)18(21)19-15-10-12-6-2-3-7-13(12)11-16(15)20/h2-15H,16H2,1H3,(H,27,28);3-9,11-13H,1,10H2,2H3,(H,23,24);2-11,20H,1H3,(H,19,21).
What are the key properties of 7-bromo-N-(2-methoxyphenyl)-3-phenylmethoxynaphthalene-2-carboxamide;7-bromo-N-(2-methoxyphenyl)-3-prop-2-enoxynaphthalene-2-carboxamide;N-(3-hydroxynaphthalen-2-yl)-2-methoxybenzamide?
7-bromo-N-(2-methoxyphenyl)-3-phenylmethoxynaphthalene-2-carboxamide;7-bromo-N-(2-methoxyphenyl)-3-prop-2-enoxynaphthalene-2-carboxamide;N-(3-hydroxynaphthalen-2-yl)-2-methoxybenzamide has a molecular weight of 1167.95 g/mol, XLogP of 15.68, 15 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(2-methoxyphenyl)-3-phenylmethoxynaphthalene-2-carboxamide;7-bromo-N-(2-methoxyphenyl)-3-prop-2-enoxynaphthalene-2-carboxamide;N-(3-hydroxynaphthalen-2-yl)-2-methoxybenzamide is sourced from PubChem (CID 157466359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).