N-[4-[(4-chlorobenzoyl)amino]phenyl]piperidine-4-carboxamide;hydrochloride

C19H21Cl2N3O2 — CID 119302107

IUPACN-[4-[(4-chlorobenzoyl)amino]phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(NC(=O)C2CCNCC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN3O2.ClH/c20-15-3-1-13(2-4-15)18(24)22-16-5-7-17(8-6-16)23-19(25)14-9-11-21-12-10-14;/h1-8,14,21H,9-12H2,(H,22,24)(H,23,25);1H
InChIKeyJPWPHXZPYDNACK-UHFFFAOYSA-N
MW394.30 g/mol
LogP3.95
Rot. Bonds4

About N-[4-[(4-chlorobenzoyl)amino]phenyl]piperidine-4-carboxamide;hydrochloride

N-[4-[(4-chlorobenzoyl)amino]phenyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119302107) has the molecular formula C19H21Cl2N3O2 and a molecular weight of 394.30 g/mol. Its IUPAC name is N-[4-[(4-chlorobenzoyl)amino]phenyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(4-chlorobenzoyl)amino]phenyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119302107
Molecular FormulaC19H21Cl2N3O2
Molecular Weight394.30 g/mol
Exact Mass393.10
IUPAC NameN-[4-[(4-chlorobenzoyl)amino]phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(NC(=O)C2CCNCC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN3O2.ClH/c20-15-3-1-13(2-4-15)18(24)22-16-5-7-17(8-6-16)23-19(25)14-9-11-21-12-10-14;/h1-8,14,21H,9-12H2,(H,22,24)(H,23,25);1H
InChIKeyJPWPHXZPYDNACK-UHFFFAOYSA-N
XLogP3.95
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006642
N-[2-[(4-chlorobenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119278612
4-chloro-N-[4-[(3S)-pyrrolidin-3-yl]phenyl]benzamide
CID 124561571
(2R)-N-[4-[(4-chlorobenzoyl)amino]phenyl]pyrrolidine-2-carboxamide
CID 95376963
N-[4-chloro-3-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119326813
3,5-dichloro-N-[4-(piperidin-4-ylcarbamoyl)phenyl]benzamide
CID 119386610
methyl 4-(piperidine-4-carbonylamino)benzoate
CID 61258374
4-(cyclopropanecarbonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453816
N-[4-[[(3,5-dichlorobenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 17133633
4-chloro-2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]benzoic acid
CID 17172152
4-chloro-N-[4-[[(3R)-pyrrolidin-3-yl]methyl]phenyl]benzamide
CID 124566275
N-(4-bromophenyl)-4-(cyclopropanecarbonylamino)benzamide
CID 26913884

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chlorobenzoyl)amino]phenyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[4-[(4-chlorobenzoyl)amino]phenyl]piperidine-4-carboxamide;hydrochloride (CID 119302107) is N-[4-[(4-chlorobenzoyl)amino]phenyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[(4-chlorobenzoyl)amino]phenyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[(4-chlorobenzoyl)amino]phenyl]piperidine-4-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(NC(=O)C2CCNCC2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[4-[(4-chlorobenzoyl)amino]phenyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is JPWPHXZPYDNACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2.ClH/c20-15-3-1-13(2-4-15)18(24)22-16-5-7-17(8-6-16)23-19(25)14-9-11-21-12-10-14;/h1-8,14,21H,9-12H2,(H,22,24)(H,23,25);1H.
What are the key properties of N-[4-[(4-chlorobenzoyl)amino]phenyl]piperidine-4-carboxamide;hydrochloride?
N-[4-[(4-chlorobenzoyl)amino]phenyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 394.30 g/mol, XLogP of 3.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-chlorobenzoyl)amino]phenyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119302107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).