N-[(4-chlorophenyl)-thiophen-2-ylmethyl]pyrrolidine-3-carboxamide;hydrochloride

C16H18Cl2N2OS — CID 119736196

IUPACN-[(4-chlorophenyl)-thiophen-2-ylmethyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NC(c1ccc(Cl)cc1)c1cccs1)C1CCNC1
InChIInChI=1S/C16H17ClN2OS.ClH/c17-13-5-3-11(4-6-13)15(14-2-1-9-21-14)19-16(20)12-7-8-18-10-12;/h1-6,9,12,15,18H,7-8,10H2,(H,19,20);1H
InChIKeyLLQGKWLRMALQAE-UHFFFAOYSA-N
MW357.31 g/mol
LogP3.64
Rot. Bonds4

About N-[(4-chlorophenyl)-thiophen-2-ylmethyl]pyrrolidine-3-carboxamide;hydrochloride

N-[(4-chlorophenyl)-thiophen-2-ylmethyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119736196) has the molecular formula C16H18Cl2N2OS and a molecular weight of 357.31 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-thiophen-2-ylmethyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-thiophen-2-ylmethyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119736196
Molecular FormulaC16H18Cl2N2OS
Molecular Weight357.31 g/mol
Exact Mass356.05
IUPAC NameN-[(4-chlorophenyl)-thiophen-2-ylmethyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NC(c1ccc(Cl)cc1)c1cccs1)C1CCNC1
InChIInChI=1S/C16H17ClN2OS.ClH/c17-13-5-3-11(4-6-13)15(14-2-1-9-21-14)19-16(20)12-7-8-18-10-12;/h1-6,9,12,15,18H,7-8,10H2,(H,19,20);1H
InChIKeyLLQGKWLRMALQAE-UHFFFAOYSA-N
XLogP3.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.31
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119689120
N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 63006092
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 55751666
N-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81354643
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119736178
(3S)-N-[(S)-(3-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide
CID 129415304
N-(2-phenyl-1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 119794217
N-[(2-chlorophenyl)-(2,5-difluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 119806108
(3R)-N-[(R)-(2-chlorophenyl)-(4-methoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 99714326
N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide
CID 43709154
(3R)-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-3-carboxamide
CID 81124404
1-(4-chlorobenzoyl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide
CID 46655706

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-thiophen-2-ylmethyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[(4-chlorophenyl)-thiophen-2-ylmethyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119736196) is N-[(4-chlorophenyl)-thiophen-2-ylmethyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4-chlorophenyl)-thiophen-2-ylmethyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(4-chlorophenyl)-thiophen-2-ylmethyl]pyrrolidine-3-carboxamide;hydrochloride is Cl.O=C(NC(c1ccc(Cl)cc1)c1cccs1)C1CCNC1.
What is the InChIKey of N-[(4-chlorophenyl)-thiophen-2-ylmethyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is LLQGKWLRMALQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2OS.ClH/c17-13-5-3-11(4-6-13)15(14-2-1-9-21-14)19-16(20)12-7-8-18-10-12;/h1-6,9,12,15,18H,7-8,10H2,(H,19,20);1H.
What are the key properties of N-[(4-chlorophenyl)-thiophen-2-ylmethyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 357.31 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-thiophen-2-ylmethyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119736196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).