5-oxo-N-phenyl-2,4-dihydro-1H-3-benzazepine-3-carboxamide

C17H16N2O2 — CID 14267826

IUPAC5-oxo-N-phenyl-2,4-dihydro-1H-3-benzazepine-3-carboxamide
SMILESO=C1CN(C(=O)Nc2ccccc2)CCc2ccccc21
InChIInChI=1S/C17H16N2O2/c20-16-12-19(11-10-13-6-4-5-9-15(13)16)17(21)18-14-7-2-1-3-8-14/h1-9H,10-12H2,(H,18,21)
InChIKeyIZWYDRMTAABEDS-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.96
Rot. Bonds1

About 5-oxo-N-phenyl-2,4-dihydro-1H-3-benzazepine-3-carboxamide

5-oxo-N-phenyl-2,4-dihydro-1H-3-benzazepine-3-carboxamide (PubChem CID 14267826) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-oxo-N-phenyl-2,4-dihydro-1H-3-benzazepine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-phenyl-2,4-dihydro-1H-3-benzazepine-3-carboxamide
PubChem CID14267826
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name5-oxo-N-phenyl-2,4-dihydro-1H-3-benzazepine-3-carboxamide
SMILESO=C1CN(C(=O)Nc2ccccc2)CCc2ccccc21
InChIInChI=1S/C17H16N2O2/c20-16-12-19(11-10-13-6-4-5-9-15(13)16)17(21)18-14-7-2-1-3-8-14/h1-9H,10-12H2,(H,18,21)
InChIKeyIZWYDRMTAABEDS-UHFFFAOYSA-N
XLogP2.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 846926
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-phenylpiperidine-1-carboxamide
CID 2594222
N-(3,5-dihydroxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108895492
tert-butyl 5-oxo-2,4-dihydro-1H-3-benzazepine-3-carboxylate
CID 178199983
N-[4-(diethylamino)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108989160
N-[4-[(2-phenylmethoxyacetyl)amino]phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 68753684
4,4-dimethyl-N-phenylpiperidine-1-carboxamide
CID 110749467
N-[4-[(R)-methylsulfinyl]phenyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 124734875
N-phenyl-1,2,4,5-tetrahydro-3-benzazepine-3-carbothioamide
CID 115629749
ethyl 4-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)benzoate
CID 970289
1-tert-butyl-N-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide
CID 108781376
N-[4-[[(3S)-3-methylpentanoyl]amino]phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 68752010

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-phenyl-2,4-dihydro-1H-3-benzazepine-3-carboxamide?
The IUPAC name of 5-oxo-N-phenyl-2,4-dihydro-1H-3-benzazepine-3-carboxamide (CID 14267826) is 5-oxo-N-phenyl-2,4-dihydro-1H-3-benzazepine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-phenyl-2,4-dihydro-1H-3-benzazepine-3-carboxamide?
The canonical SMILES for 5-oxo-N-phenyl-2,4-dihydro-1H-3-benzazepine-3-carboxamide is O=C1CN(C(=O)Nc2ccccc2)CCc2ccccc21.
What is the InChIKey of 5-oxo-N-phenyl-2,4-dihydro-1H-3-benzazepine-3-carboxamide?
The InChIKey is IZWYDRMTAABEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c20-16-12-19(11-10-13-6-4-5-9-15(13)16)17(21)18-14-7-2-1-3-8-14/h1-9H,10-12H2,(H,18,21).
What are the key properties of 5-oxo-N-phenyl-2,4-dihydro-1H-3-benzazepine-3-carboxamide?
5-oxo-N-phenyl-2,4-dihydro-1H-3-benzazepine-3-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-phenyl-2,4-dihydro-1H-3-benzazepine-3-carboxamide is sourced from PubChem (CID 14267826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).