N-[C-(4-chlorophenyl)-N-(4-methoxyphenyl)carbonimidoyl]-N-(4-methoxyphenyl)naphthalene-2-carboxamide

C32H25ClN2O3 — CID 4863327

IUPACN-[C-(4-chlorophenyl)-N-(4-methoxyphenyl)carbonimidoyl]-N-(4-methoxyphenyl)naphthalene-2-carboxamide
SMILESCOc1ccc(/N=C(\c2ccc(Cl)cc2)N(C(=O)c2ccc3ccccc3c2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C32H25ClN2O3/c1-37-29-17-13-27(14-18-29)34-31(23-9-11-26(33)12-10-23)35(28-15-19-30(38-2)20-16-28)32(36)25-8-7-22-5-3-4-6-24(22)21-25/h3-21H,1-2H3/b34-31+
InChIKeySSMFDIKHTHHDDV-WUVHBKSUSA-N
MW521.02 g/mol
LogP7.94
Rot. Bonds6

About N-[C-(4-chlorophenyl)-N-(4-methoxyphenyl)carbonimidoyl]-N-(4-methoxyphenyl)naphthalene-2-carboxamide

N-[C-(4-chlorophenyl)-N-(4-methoxyphenyl)carbonimidoyl]-N-(4-methoxyphenyl)naphthalene-2-carboxamide (PubChem CID 4863327) has the molecular formula C32H25ClN2O3 and a molecular weight of 521.02 g/mol. Its IUPAC name is N-[C-(4-chlorophenyl)-N-(4-methoxyphenyl)carbonimidoyl]-N-(4-methoxyphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[C-(4-chlorophenyl)-N-(4-methoxyphenyl)carbonimidoyl]-N-(4-methoxyphenyl)naphthalene-2-carboxamide
PubChem CID4863327
Molecular FormulaC32H25ClN2O3
Molecular Weight521.02 g/mol
Exact Mass520.16
IUPAC NameN-[C-(4-chlorophenyl)-N-(4-methoxyphenyl)carbonimidoyl]-N-(4-methoxyphenyl)naphthalene-2-carboxamide
SMILESCOc1ccc(/N=C(\c2ccc(Cl)cc2)N(C(=O)c2ccc3ccccc3c2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C32H25ClN2O3/c1-37-29-17-13-27(14-18-29)34-31(23-9-11-26(33)12-10-23)35(28-15-19-30(38-2)20-16-28)32(36)25-8-7-22-5-3-4-6-24(22)21-25/h3-21H,1-2H3/b34-31+
InChIKeySSMFDIKHTHHDDV-WUVHBKSUSA-N
XLogP7.94
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.02
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(3-Chloro-4-methoxyphenyl)-2-[(1E)-2-(naphthalen-1-YL)ethenyl]-3,4-dihydroquinazolin-4-one
CID 16034067
3-(5-Chloro-2-methoxyphenyl)-2-[(1E)-2-(naphthalen-1-YL)ethenyl]-3,4-dihydroquinazolin-4-one
CID 16034074
7-Chloro-3-(4-methoxyphenyl)-2-phenylquinazolin-4-one
CID 137635773
2-[(E)-2-(4-chlorophenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one
CID 5336426
3-(4-methoxyphenyl)-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one
CID 118735058
3-(4-Methoxyphenyl)-2-(naphthalen-1-YL)-3,4-dihydroquinazolin-4-one
CID 46097948
(E)-2-(2,6-dichlorostyryl)-3-(4-((6-methoxynaphthalen-2-yl)ethynyl)-2-methylphenyl)quinazolin-4(3H)-one
CID 60148234
4-(4-Chlorophenyl)-6,7-dimethyl-2-[4-(trifluoromethoxy)phenyl]phthalazin-1-one
CID 168887130
3-(4-Chlorophenyl)-2-(4-methoxyphenyl)isoquinolin-1-one
CID 134912777
9-Chloro-12-(4-methoxyphenyl)isoquinolino[2,1-a]quinazolin-6-one
CID 138963257
N-Benzoyl-3-(4-methoxyphenyl)-4-(4-chlorophenyl)-1,3-selenazol-2(3H)-imine
CID 139221174
2-(2-Chlorophenyl)-3-(4-methoxyphenyl)quinazolin-4-one
CID 1342034

Frequently Asked Questions

What is the IUPAC name of N-[C-(4-chlorophenyl)-N-(4-methoxyphenyl)carbonimidoyl]-N-(4-methoxyphenyl)naphthalene-2-carboxamide?
The IUPAC name of N-[C-(4-chlorophenyl)-N-(4-methoxyphenyl)carbonimidoyl]-N-(4-methoxyphenyl)naphthalene-2-carboxamide (CID 4863327) is N-[C-(4-chlorophenyl)-N-(4-methoxyphenyl)carbonimidoyl]-N-(4-methoxyphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-[C-(4-chlorophenyl)-N-(4-methoxyphenyl)carbonimidoyl]-N-(4-methoxyphenyl)naphthalene-2-carboxamide?
The canonical SMILES for N-[C-(4-chlorophenyl)-N-(4-methoxyphenyl)carbonimidoyl]-N-(4-methoxyphenyl)naphthalene-2-carboxamide is COc1ccc(/N=C(\c2ccc(Cl)cc2)N(C(=O)c2ccc3ccccc3c2)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[C-(4-chlorophenyl)-N-(4-methoxyphenyl)carbonimidoyl]-N-(4-methoxyphenyl)naphthalene-2-carboxamide?
The InChIKey is SSMFDIKHTHHDDV-WUVHBKSUSA-N. The full InChI is InChI=1S/C32H25ClN2O3/c1-37-29-17-13-27(14-18-29)34-31(23-9-11-26(33)12-10-23)35(28-15-19-30(38-2)20-16-28)32(36)25-8-7-22-5-3-4-6-24(22)21-25/h3-21H,1-2H3/b34-31+.
What are the key properties of N-[C-(4-chlorophenyl)-N-(4-methoxyphenyl)carbonimidoyl]-N-(4-methoxyphenyl)naphthalene-2-carboxamide?
N-[C-(4-chlorophenyl)-N-(4-methoxyphenyl)carbonimidoyl]-N-(4-methoxyphenyl)naphthalene-2-carboxamide has a molecular weight of 521.02 g/mol, XLogP of 7.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[C-(4-chlorophenyl)-N-(4-methoxyphenyl)carbonimidoyl]-N-(4-methoxyphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 4863327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).