N-[(5-bromo-2-hydroxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide

C24H18BrNO3 — CID 122396722

IUPACN-[(5-bromo-2-hydroxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide
SMILESO=C(NC(c1cc(Br)ccc1O)c1c(O)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C24H18BrNO3/c25-17-11-13-20(27)19(14-17)23(26-24(29)16-7-2-1-3-8-16)22-18-9-5-4-6-15(18)10-12-21(22)28/h1-14,23,27-28H,(H,26,29)
InChIKeyVEWRDTOFGJAMAZ-UHFFFAOYSA-N
MW448.32 g/mol
LogP5.53
Rot. Bonds4

About N-[(5-bromo-2-hydroxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide

N-[(5-bromo-2-hydroxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide (PubChem CID 122396722) has the molecular formula C24H18BrNO3 and a molecular weight of 448.32 g/mol. Its IUPAC name is N-[(5-bromo-2-hydroxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(5-bromo-2-hydroxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide
PubChem CID122396722
Molecular FormulaC24H18BrNO3
Molecular Weight448.32 g/mol
Exact Mass447.05
IUPAC NameN-[(5-bromo-2-hydroxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide
SMILESO=C(NC(c1cc(Br)ccc1O)c1c(O)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C24H18BrNO3/c25-17-11-13-20(27)19(14-17)23(26-24(29)16-7-2-1-3-8-16)22-18-9-5-4-6-15(18)10-12-21(22)28/h1-14,23,27-28H,(H,26,29)
InChIKeyVEWRDTOFGJAMAZ-UHFFFAOYSA-N
XLogP5.53
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.32
LogP ≤ 55.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-hydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]benzamide
CID 139235353
N-[(2,3-dimethoxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide
CID 71733407
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-4-iodobenzamide
CID 19166399
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3,5-dinitrobenzamide
CID 19165231
2-chloro-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]pyridine-4-carboxamide
CID 134025883
methyl N-[(3-bromophenyl)-(2-hydroxynaphthalen-1-yl)methyl]carbamate
CID 102512897
2-bromo-5-fluoro-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]benzamide
CID 55451553
N-[(R)-(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-3-methoxybenzamide
CID 2281447
N-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-3-methoxybenzamide
CID 2897217
N-[(2,4-dihydroxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide
CID 156613239
N-[6-bromo-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]benzamide
CID 156768686
N-[(S)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-4-methoxybenzamide
CID 2278763

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-hydroxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide?
The IUPAC name of N-[(5-bromo-2-hydroxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide (CID 122396722) is N-[(5-bromo-2-hydroxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide.
What is the SMILES notation for N-[(5-bromo-2-hydroxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide?
The canonical SMILES for N-[(5-bromo-2-hydroxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide is O=C(NC(c1cc(Br)ccc1O)c1c(O)ccc2ccccc12)c1ccccc1.
What is the InChIKey of N-[(5-bromo-2-hydroxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide?
The InChIKey is VEWRDTOFGJAMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrNO3/c25-17-11-13-20(27)19(14-17)23(26-24(29)16-7-2-1-3-8-16)22-18-9-5-4-6-15(18)10-12-21(22)28/h1-14,23,27-28H,(H,26,29).
What are the key properties of N-[(5-bromo-2-hydroxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide?
N-[(5-bromo-2-hydroxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide has a molecular weight of 448.32 g/mol, XLogP of 5.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-hydroxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide is sourced from PubChem (CID 122396722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).