(3S)-N-[(S)-(3-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide

C18H19ClN2O — CID 129415304

IUPAC(3S)-N-[(S)-(3-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide
SMILESO=C(N[C@@H](c1ccccc1)c1cccc(Cl)c1)[C@H]1CCNC1
InChIInChI=1S/C18H19ClN2O/c19-16-8-4-7-14(11-16)17(13-5-2-1-3-6-13)21-18(22)15-9-10-20-12-15/h1-8,11,15,17,20H,9-10,12H2,(H,21,22)/t15-,17-/m0/s1
InChIKeyQFDMOWPQTDODRE-RDJZCZTQSA-N
MW314.82 g/mol
LogP3.16
Rot. Bonds4

About (3S)-N-[(S)-(3-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide

(3S)-N-[(S)-(3-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide (PubChem CID 129415304) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is (3S)-N-[(S)-(3-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(S)-(3-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide
PubChem CID129415304
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name(3S)-N-[(S)-(3-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide
SMILESO=C(N[C@@H](c1ccccc1)c1cccc(Cl)c1)[C@H]1CCNC1
InChIInChI=1S/C18H19ClN2O/c19-16-8-4-7-14(11-16)17(13-5-2-1-3-6-13)21-18(22)15-9-10-20-12-15/h1-8,11,15,17,20H,9-10,12H2,(H,21,22)/t15-,17-/m0/s1
InChIKeyQFDMOWPQTDODRE-RDJZCZTQSA-N
XLogP3.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119689120
N-[(3-fluorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide
CID 119815281
(2S,4S)-N-[(3-chlorophenyl)-phenylmethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120623965
(2S,4S)-N-[(3-chlorophenyl)-phenylmethyl]-2-methylpiperidine-4-carboxamide
CID 120623966
N-benzhydrylpiperidine-4-carboxamide
CID 119263888
(3R)-N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81128625
N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 54913857
2-[[(3-chlorophenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975283
3-amino-N-[(3-chlorophenyl)-phenylmethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119736446
N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119669719
(2R)-2-(2-chlorophenyl)-2-(pyrrolidine-3-carbonylamino)acetic acid
CID 107315387
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119736196

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(S)-(3-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[(S)-(3-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide (CID 129415304) is (3S)-N-[(S)-(3-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(S)-(3-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(S)-(3-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide is O=C(N[C@@H](c1ccccc1)c1cccc(Cl)c1)[C@H]1CCNC1.
What is the InChIKey of (3S)-N-[(S)-(3-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide?
The InChIKey is QFDMOWPQTDODRE-RDJZCZTQSA-N. The full InChI is InChI=1S/C18H19ClN2O/c19-16-8-4-7-14(11-16)17(13-5-2-1-3-6-13)21-18(22)15-9-10-20-12-15/h1-8,11,15,17,20H,9-10,12H2,(H,21,22)/t15-,17-/m0/s1.
What are the key properties of (3S)-N-[(S)-(3-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide?
(3S)-N-[(S)-(3-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide has a molecular weight of 314.82 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(S)-(3-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 129415304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).