N-[(Z)-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide

C30H23BrN2O3 — CID 126376683

IUPACN-[(Z)-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)N/N=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1
InChIInChI=1S/C30H23BrN2O3/c1-35-29-17-23-9-3-2-8-22(23)16-26(29)30(34)33-32-18-20-13-14-28(27(31)15-20)36-19-24-11-6-10-21-7-4-5-12-25(21)24/h2-18H,19H2,1H3,(H,33,34)/b32-18-
InChIKeyDVOBUVXIWSNDHX-CAQPMQTCSA-N
MW539.43 g/mol
LogP7.11
Rot. Bonds7

About N-[(Z)-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide

N-[(Z)-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide (PubChem CID 126376683) has the molecular formula C30H23BrN2O3 and a molecular weight of 539.43 g/mol. Its IUPAC name is N-[(Z)-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
PubChem CID126376683
Molecular FormulaC30H23BrN2O3
Molecular Weight539.43 g/mol
Exact Mass538.09
IUPAC NameN-[(Z)-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)N/N=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1
InChIInChI=1S/C30H23BrN2O3/c1-35-29-17-23-9-3-2-8-22(23)16-26(29)30(34)33-32-18-20-13-14-28(27(31)15-20)36-19-24-11-6-10-21-7-4-5-12-25(21)24/h2-18H,19H2,1H3,(H,33,34)/b32-18-
InChIKeyDVOBUVXIWSNDHX-CAQPMQTCSA-N
XLogP7.11
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.43
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2,4-dimethoxybenzamide
CID 126388440
N-[(E)-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126330028
N-[(E)-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3-ethoxy-4-methoxybenzamide
CID 126315248
3-methoxy-N-[[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]naphthalene-2-carboxamide
CID 3522022
N-[(E)-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-ethoxybenzamide
CID 17246141
N-[(Z)-[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 126377844
2,4-dihydroxy-N-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
CID 4230907
N-[(Z)-(3,5-dibromo-4-ethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 126376714
2-[2,6-dibromo-4-[(Z)-[(3-methoxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 126377695
N-[(Z)-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 126378284
N-[(E)-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3-methylbenzamide
CID 96885250
N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 135647002

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-[(Z)-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide (CID 126376683) is N-[(Z)-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[(Z)-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-[(Z)-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)N/N=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1.
What is the InChIKey of N-[(Z)-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide?
The InChIKey is DVOBUVXIWSNDHX-CAQPMQTCSA-N. The full InChI is InChI=1S/C30H23BrN2O3/c1-35-29-17-23-9-3-2-8-22(23)16-26(29)30(34)33-32-18-20-13-14-28(27(31)15-20)36-19-24-11-6-10-21-7-4-5-12-25(21)24/h2-18H,19H2,1H3,(H,33,34)/b32-18-.
What are the key properties of N-[(Z)-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide?
N-[(Z)-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide has a molecular weight of 539.43 g/mol, XLogP of 7.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 126376683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).