N-(4-chlorophenyl)-7-methoxy-1-benzoxepine-4-carboxamide

C18H14ClNO3 — CID 20896675

IUPACN-(4-chlorophenyl)-7-methoxy-1-benzoxepine-4-carboxamide
SMILESCOc1ccc2c(c1)C=C(C(=O)Nc1ccc(Cl)cc1)C=CO2
InChIInChI=1S/C18H14ClNO3/c1-22-16-6-7-17-13(11-16)10-12(8-9-23-17)18(21)20-15-4-2-14(19)3-5-15/h2-11H,1H3,(H,20,21)
InChIKeyQUWVAMLOXWGCFX-UHFFFAOYSA-N
MW327.77 g/mol
LogP4.28
Rot. Bonds3

About N-(4-chlorophenyl)-7-methoxy-1-benzoxepine-4-carboxamide

N-(4-chlorophenyl)-7-methoxy-1-benzoxepine-4-carboxamide (PubChem CID 20896675) has the molecular formula C18H14ClNO3 and a molecular weight of 327.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)-7-methoxy-1-benzoxepine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-7-methoxy-1-benzoxepine-4-carboxamide
PubChem CID20896675
Molecular FormulaC18H14ClNO3
Molecular Weight327.77 g/mol
Exact Mass327.07
IUPAC NameN-(4-chlorophenyl)-7-methoxy-1-benzoxepine-4-carboxamide
SMILESCOc1ccc2c(c1)C=C(C(=O)Nc1ccc(Cl)cc1)C=CO2
InChIInChI=1S/C18H14ClNO3/c1-22-16-6-7-17-13(11-16)10-12(8-9-23-17)18(21)20-15-4-2-14(19)3-5-15/h2-11H,1H3,(H,20,21)
InChIKeyQUWVAMLOXWGCFX-UHFFFAOYSA-N
XLogP4.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-7-chloro-1-benzoxepine-4-carboxamide
CID 43845076
7-methoxy-N-propyl-1-benzoxepine-4-carboxamide
CID 20896732
N-[5-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-7-methoxy-1-benzoxepine-4-carboxamide
CID 20896704
1-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 5080990
N-(3-chlorophenyl)-6-methoxy-2H-chromene-3-carboxamide
CID 1478813
N-(4-chlorophenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206063
N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651140
2-chloro-N-[4-[(5-chloro-2-methoxybenzoyl)amino]phenyl]-5-methoxybenzamide
CID 4077998
4-chloro-2-(hydroxyamino)-N-(4-methoxyphenyl)benzamide
CID 89356019
5-chloro-2-(ethylamino)-N-(4-methoxyphenyl)benzamide
CID 62171434
N-[(4-chlorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide
CID 1478817
4-N-(4-chlorophenyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092859

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-7-methoxy-1-benzoxepine-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-7-methoxy-1-benzoxepine-4-carboxamide (CID 20896675) is N-(4-chlorophenyl)-7-methoxy-1-benzoxepine-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-7-methoxy-1-benzoxepine-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-7-methoxy-1-benzoxepine-4-carboxamide is COc1ccc2c(c1)C=C(C(=O)Nc1ccc(Cl)cc1)C=CO2.
What is the InChIKey of N-(4-chlorophenyl)-7-methoxy-1-benzoxepine-4-carboxamide?
The InChIKey is QUWVAMLOXWGCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO3/c1-22-16-6-7-17-13(11-16)10-12(8-9-23-17)18(21)20-15-4-2-14(19)3-5-15/h2-11H,1H3,(H,20,21).
What are the key properties of N-(4-chlorophenyl)-7-methoxy-1-benzoxepine-4-carboxamide?
N-(4-chlorophenyl)-7-methoxy-1-benzoxepine-4-carboxamide has a molecular weight of 327.77 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-7-methoxy-1-benzoxepine-4-carboxamide is sourced from PubChem (CID 20896675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).