N-phenyl-5-pyrrolidin-1-yl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide;hydrochloride

C21H26ClN3O — CID 69223899

IUPACN-phenyl-5-pyrrolidin-1-yl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccccc1)N1CCCC(N2CCCC2)c2ccccc21
InChIInChI=1S/C21H25N3O.ClH/c25-21(22-17-9-2-1-3-10-17)24-16-8-13-19(23-14-6-7-15-23)18-11-4-5-12-20(18)24;/h1-5,9-12,19H,6-8,13-16H2,(H,22,25);1H
InChIKeyKYNVERRKLDCBQR-UHFFFAOYSA-N
MW371.91 g/mol
LogP5.08
Rot. Bonds2

About N-phenyl-5-pyrrolidin-1-yl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide;hydrochloride

N-phenyl-5-pyrrolidin-1-yl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide;hydrochloride (PubChem CID 69223899) has the molecular formula C21H26ClN3O and a molecular weight of 371.91 g/mol. Its IUPAC name is N-phenyl-5-pyrrolidin-1-yl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-phenyl-5-pyrrolidin-1-yl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide;hydrochloride
PubChem CID69223899
Molecular FormulaC21H26ClN3O
Molecular Weight371.91 g/mol
Exact Mass371.18
IUPAC NameN-phenyl-5-pyrrolidin-1-yl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccccc1)N1CCCC(N2CCCC2)c2ccccc21
InChIInChI=1S/C21H25N3O.ClH/c25-21(22-17-9-2-1-3-10-17)24-16-8-13-19(23-14-6-7-15-23)18-11-4-5-12-20(18)24;/h1-5,9-12,19H,6-8,13-16H2,(H,22,25);1H
InChIKeyKYNVERRKLDCBQR-UHFFFAOYSA-N
XLogP5.08
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.91
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-methylphenyl)-N-phenylpyrrolidine-1-carboxamide
CID 51856075
3-(2-aminoethyl)-N-phenyl-2,3-dihydroindole-1-carboxamide
CID 63235966
4-hydroxy-6-methoxy-N-phenyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110636695
N-phenyl-3-pyrrolidin-1-ylazetidine-1-carboxamide
CID 23140407
(3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 8967746
4-(2,3-dihydro-1H-inden-1-yl)-N-phenylpiperazine-1-carboxamide
CID 110399825
cyclopropyl-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 104537354
3-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 55982371
(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811
cyclohexyl-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 104537371
[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-phenylmethanone
CID 114335708
4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 17474266

Frequently Asked Questions

What is the IUPAC name of N-phenyl-5-pyrrolidin-1-yl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide;hydrochloride?
The IUPAC name of N-phenyl-5-pyrrolidin-1-yl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide;hydrochloride (CID 69223899) is N-phenyl-5-pyrrolidin-1-yl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide;hydrochloride.
What is the SMILES notation for N-phenyl-5-pyrrolidin-1-yl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide;hydrochloride?
The canonical SMILES for N-phenyl-5-pyrrolidin-1-yl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide;hydrochloride is Cl.O=C(Nc1ccccc1)N1CCCC(N2CCCC2)c2ccccc21.
What is the InChIKey of N-phenyl-5-pyrrolidin-1-yl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide;hydrochloride?
The InChIKey is KYNVERRKLDCBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O.ClH/c25-21(22-17-9-2-1-3-10-17)24-16-8-13-19(23-14-6-7-15-23)18-11-4-5-12-20(18)24;/h1-5,9-12,19H,6-8,13-16H2,(H,22,25);1H.
What are the key properties of N-phenyl-5-pyrrolidin-1-yl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide;hydrochloride?
N-phenyl-5-pyrrolidin-1-yl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide;hydrochloride has a molecular weight of 371.91 g/mol, XLogP of 5.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-5-pyrrolidin-1-yl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide;hydrochloride is sourced from PubChem (CID 69223899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).