N-(4-acetamidophenyl)-7-chloro-1-benzoxepine-4-carboxamide

C19H15ClN2O3 — CID 43845076

IUPACN-(4-acetamidophenyl)-7-chloro-1-benzoxepine-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2=Cc3cc(Cl)ccc3OC=C2)cc1
InChIInChI=1S/C19H15ClN2O3/c1-12(23)21-16-3-5-17(6-4-16)22-19(24)13-8-9-25-18-7-2-15(20)11-14(18)10-13/h2-11H,1H3,(H,21,23)(H,22,24)
InChIKeyHMOWNSVMTNSEIT-UHFFFAOYSA-N
MW354.79 g/mol
LogP4.23
Rot. Bonds3

About N-(4-acetamidophenyl)-7-chloro-1-benzoxepine-4-carboxamide

N-(4-acetamidophenyl)-7-chloro-1-benzoxepine-4-carboxamide (PubChem CID 43845076) has the molecular formula C19H15ClN2O3 and a molecular weight of 354.79 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-7-chloro-1-benzoxepine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-7-chloro-1-benzoxepine-4-carboxamide
PubChem CID43845076
Molecular FormulaC19H15ClN2O3
Molecular Weight354.79 g/mol
Exact Mass354.08
IUPAC NameN-(4-acetamidophenyl)-7-chloro-1-benzoxepine-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2=Cc3cc(Cl)ccc3OC=C2)cc1
InChIInChI=1S/C19H15ClN2O3/c1-12(23)21-16-3-5-17(6-4-16)22-19(24)13-8-9-25-18-7-2-15(20)11-14(18)10-13/h2-11H,1H3,(H,21,23)(H,22,24)
InChIKeyHMOWNSVMTNSEIT-UHFFFAOYSA-N
XLogP4.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.79
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-7-methoxy-1-benzoxepine-4-carboxamide
CID 20896675
7-chloro-N-(2,3-dimethylphenyl)-1-benzoxepine-4-carboxamide
CID 20896545
7-chloro-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1-benzoxepine-4-carboxamide
CID 20896565
7-chloro-9-methoxy-N-(4-methylphenyl)-1-benzoxepine-4-carboxamide
CID 20896614
N-(4-acetamidophenyl)-2,4-dichlorobenzamide
CID 786004
7-bromo-N-(2-ethylphenyl)-1-benzoxepine-4-carboxamide
CID 17015438
N-(2-oxochromen-7-yl)-1-benzoxepine-4-carboxamide
CID 16648760
7-chloro-N-(3-fluorophenyl)-9-methoxy-1-benzoxepine-4-carboxamide
CID 20896623
2-bromo-4-chloro-N-(4-methylphenyl)benzamide
CID 103763138
N-(4-acetamidophenyl)-1-acetyl-6-chloroindole-3-carboxamide
CID 113213187
N-[4-(4-chloroanilino)phenyl]acetamide
CID 71397904
[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] acetate
CID 35214415

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-7-chloro-1-benzoxepine-4-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-7-chloro-1-benzoxepine-4-carboxamide (CID 43845076) is N-(4-acetamidophenyl)-7-chloro-1-benzoxepine-4-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-7-chloro-1-benzoxepine-4-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-7-chloro-1-benzoxepine-4-carboxamide is CC(=O)Nc1ccc(NC(=O)C2=Cc3cc(Cl)ccc3OC=C2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-7-chloro-1-benzoxepine-4-carboxamide?
The InChIKey is HMOWNSVMTNSEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3/c1-12(23)21-16-3-5-17(6-4-16)22-19(24)13-8-9-25-18-7-2-15(20)11-14(18)10-13/h2-11H,1H3,(H,21,23)(H,22,24).
What are the key properties of N-(4-acetamidophenyl)-7-chloro-1-benzoxepine-4-carboxamide?
N-(4-acetamidophenyl)-7-chloro-1-benzoxepine-4-carboxamide has a molecular weight of 354.79 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-7-chloro-1-benzoxepine-4-carboxamide is sourced from PubChem (CID 43845076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).