(3R)-N-[(R)-(2-chlorophenyl)-(4-methoxyphenyl)methyl]pyrrolidine-3-carboxamide

C19H21ClN2O2 — CID 99714326

IUPAC(3R)-N-[(R)-(2-chlorophenyl)-(4-methoxyphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc([C@@H](NC(=O)[C@@H]2CCNC2)c2ccccc2Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c1-24-15-8-6-13(7-9-15)18(16-4-2-3-5-17(16)20)22-19(23)14-10-11-21-12-14/h2-9,14,18,21H,10-12H2,1H3,(H,22,23)/t14-,18-/m1/s1
InChIKeyFAOOZBZJZPJESV-RDTXWAMCSA-N
MW344.84 g/mol
LogP3.16
Rot. Bonds5

About (3R)-N-[(R)-(2-chlorophenyl)-(4-methoxyphenyl)methyl]pyrrolidine-3-carboxamide

(3R)-N-[(R)-(2-chlorophenyl)-(4-methoxyphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 99714326) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is (3R)-N-[(R)-(2-chlorophenyl)-(4-methoxyphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(R)-(2-chlorophenyl)-(4-methoxyphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID99714326
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name(3R)-N-[(R)-(2-chlorophenyl)-(4-methoxyphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc([C@@H](NC(=O)[C@@H]2CCNC2)c2ccccc2Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c1-24-15-8-6-13(7-9-15)18(16-4-2-3-5-17(16)20)22-19(23)14-10-11-21-12-14/h2-9,14,18,21H,10-12H2,1H3,(H,22,23)/t14-,18-/m1/s1
InChIKeyFAOOZBZJZPJESV-RDTXWAMCSA-N
XLogP3.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.16
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-[(2-chloro-4-fluorophenyl)-(4-methylphenyl)methyl]pyrrolidine-3-carboxamide
CID 119778756
N-[(2-chlorophenyl)-(2,5-difluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 119806108
(2R)-2-(2-chlorophenyl)-2-(pyrrolidine-3-carbonylamino)acetic acid
CID 107315387
(3S)-N-[(S)-(3-chlorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide
CID 129415304
N-[(1S)-1-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 81373014
N-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
CID 171097080
N-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 61258238
N-[1-(4-methoxyphenyl)-2-methylpropyl]piperidine-3-carboxamide
CID 119273380
N-[(3-fluorophenyl)-phenylmethyl]pyrrolidine-3-carboxamide
CID 119815281
N-[1-(4-methoxyphenyl)propyl]piperidine-3-carboxamide
CID 43708609
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119736196

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(R)-(2-chlorophenyl)-(4-methoxyphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(R)-(2-chlorophenyl)-(4-methoxyphenyl)methyl]pyrrolidine-3-carboxamide (CID 99714326) is (3R)-N-[(R)-(2-chlorophenyl)-(4-methoxyphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(R)-(2-chlorophenyl)-(4-methoxyphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(R)-(2-chlorophenyl)-(4-methoxyphenyl)methyl]pyrrolidine-3-carboxamide is COc1ccc([C@@H](NC(=O)[C@@H]2CCNC2)c2ccccc2Cl)cc1.
What is the InChIKey of (3R)-N-[(R)-(2-chlorophenyl)-(4-methoxyphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is FAOOZBZJZPJESV-RDTXWAMCSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-24-15-8-6-13(7-9-15)18(16-4-2-3-5-17(16)20)22-19(23)14-10-11-21-12-14/h2-9,14,18,21H,10-12H2,1H3,(H,22,23)/t14-,18-/m1/s1.
What are the key properties of (3R)-N-[(R)-(2-chlorophenyl)-(4-methoxyphenyl)methyl]pyrrolidine-3-carboxamide?
(3R)-N-[(R)-(2-chlorophenyl)-(4-methoxyphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 344.84 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(R)-(2-chlorophenyl)-(4-methoxyphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 99714326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).