N-[(4-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide;hydrochloride

C18H20Cl2N2O — CID 119689120

IUPACN-[(4-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NC(c1ccccc1)c1ccc(Cl)cc1)C1CCNC1
InChIInChI=1S/C18H19ClN2O.ClH/c19-16-8-6-14(7-9-16)17(13-4-2-1-3-5-13)21-18(22)15-10-11-20-12-15;/h1-9,15,17,20H,10-12H2,(H,21,22);1H
InChIKeyUVXCXISJSKXRSY-UHFFFAOYSA-N
MW351.28 g/mol
LogP3.58
Rot. Bonds4

About N-[(4-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide;hydrochloride

N-[(4-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119689120) has the molecular formula C18H20Cl2N2O and a molecular weight of 351.28 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119689120
Molecular FormulaC18H20Cl2N2O
Molecular Weight351.28 g/mol
Exact Mass350.10
IUPAC NameN-[(4-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NC(c1ccccc1)c1ccc(Cl)cc1)C1CCNC1
InChIInChI=1S/C18H19ClN2O.ClH/c19-16-8-6-14(7-9-16)17(13-4-2-1-3-5-13)21-18(22)15-10-11-20-12-15;/h1-9,15,17,20H,10-12H2,(H,21,22);1H
InChIKeyUVXCXISJSKXRSY-UHFFFAOYSA-N
XLogP3.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-[(S)-(3-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide
CID 129415304
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119736196
N-benzhydrylpiperidine-4-carboxamide
CID 119263888
N-[(3-fluorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide
CID 119815281
N-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81354643
N-[(2-chlorophenyl)-(2,5-difluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 119806108
N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119669719
(2R)-2-(2-chlorophenyl)-2-(pyrrolidine-3-carbonylamino)acetic acid
CID 107315387
(3R)-N-[(R)-(2-chlorophenyl)-(4-methoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 99714326
(4S)-N-[(R)-(4-chlorophenyl)-phenylmethyl]-2-oxoimidazolidine-4-carboxamide
CID 97081299
2-[[(4-chlorophenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975095
(3S)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81139439

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[(4-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119689120) is N-[(4-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(4-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide;hydrochloride is Cl.O=C(NC(c1ccccc1)c1ccc(Cl)cc1)C1CCNC1.
What is the InChIKey of N-[(4-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is UVXCXISJSKXRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O.ClH/c19-16-8-6-14(7-9-16)17(13-4-2-1-3-5-13)21-18(22)15-10-11-20-12-15;/h1-9,15,17,20H,10-12H2,(H,21,22);1H.
What are the key properties of N-[(4-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[(4-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 351.28 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119689120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).