7-chloro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide

C17H17ClN2O — CID 69222522

IUPAC7-chloro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCCCc2cc(Cl)ccc21
InChIInChI=1S/C17H17ClN2O/c18-14-9-10-16-13(12-14)6-4-5-11-20(16)17(21)19-15-7-2-1-3-8-15/h1-3,7-10,12H,4-6,11H2,(H,19,21)
InChIKeyHUWRVNXVUPESLC-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.71
Rot. Bonds1

About 7-chloro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide

7-chloro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide (PubChem CID 69222522) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 7-chloro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide.

Molecular Properties

Compound Name7-chloro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
PubChem CID69222522
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name7-chloro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCCCc2cc(Cl)ccc21
InChIInChI=1S/C17H17ClN2O/c18-14-9-10-16-13(12-14)6-4-5-11-20(16)17(21)19-15-7-2-1-3-8-15/h1-3,7-10,12H,4-6,11H2,(H,19,21)
InChIKeyHUWRVNXVUPESLC-UHFFFAOYSA-N
XLogP4.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 7-chloro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-N-(4-chlorophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 134093336
7-fluoro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69220426
7-methoxy-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 23032395
8-fluoro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 10214790
6-chloro-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110747484
N-(4-aminophenyl)-7-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69221292
N-(4-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-1-benzazocine-1-carboxamide
CID 69223923
methyl 6-chloro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 82473511
4-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-4-hydroxy-N-phenylbutanamide
CID 175260029
N-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338657
N-[4-chloro-2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108991269
5-chloro-2,3-dihydroindole-1-carboxylic acid
CID 68859490

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The IUPAC name of 7-chloro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide (CID 69222522) is 7-chloro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide.
What is the SMILES notation for 7-chloro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The canonical SMILES for 7-chloro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide is O=C(Nc1ccccc1)N1CCCCc2cc(Cl)ccc21.
What is the InChIKey of 7-chloro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The InChIKey is HUWRVNXVUPESLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c18-14-9-10-16-13(12-14)6-4-5-11-20(16)17(21)19-15-7-2-1-3-8-15/h1-3,7-10,12H,4-6,11H2,(H,19,21).
What are the key properties of 7-chloro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
7-chloro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide has a molecular weight of 300.79 g/mol, XLogP of 4.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide is sourced from PubChem (CID 69222522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).