(2S)-N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide

C19H22FN3O — CID 97213920

IUPAC(2S)-N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
SMILESO=C(N[C@H](c1ccc(F)cc1)C1CC1)N1CCC[C@H]1c1ccc[nH]1
InChIInChI=1S/C19H22FN3O/c20-15-9-7-14(8-10-15)18(13-5-6-13)22-19(24)23-12-2-4-17(23)16-3-1-11-21-16/h1,3,7-11,13,17-18,21H,2,4-6,12H2,(H,22,24)/t17-,18-/m0/s1
InChIKeyXQOIZYLHXYPMSM-ROUUACIJSA-N
MW327.40 g/mol
LogP4.15
Rot. Bonds4

About (2S)-N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide

(2S)-N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 97213920) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is (2S)-N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
PubChem CID97213920
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC Name(2S)-N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
SMILESO=C(N[C@H](c1ccc(F)cc1)C1CC1)N1CCC[C@H]1c1ccc[nH]1
InChIInChI=1S/C19H22FN3O/c20-15-9-7-14(8-10-15)18(13-5-6-13)22-19(24)23-12-2-4-17(23)16-3-1-11-21-16/h1,3,7-11,13,17-18,21H,2,4-6,12H2,(H,22,24)/t17-,18-/m0/s1
InChIKeyXQOIZYLHXYPMSM-ROUUACIJSA-N
XLogP4.15
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 47323235
(4-fluoro-2-methylphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 115745671
N-benzyl-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
CID 47256655
(2R)-N-(pyridin-2-ylmethyl)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
CID 95596170
1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]butane-1,3-dione
CID 60951109
(2S)-3-(3-fluorophenyl)-2-methyl-1-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 95587105
(2R)-N-(pyridin-4-ylmethyl)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
CID 95604428
(2R)-N-[(1-cyclopropylcyclobutyl)methyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
CID 99634075
1-[[cyclobutyl-(4-fluorophenyl)methyl]carbamoyl]piperidine-3-carboxylic acid
CID 122000877
(5-chloro-2-fluorophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 47028453
5-bromo-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]pentan-1-one
CID 107909521
(3R)-N-[(R)-cyclobutyl-(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95977904

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide (CID 97213920) is (2S)-N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide is O=C(N[C@H](c1ccc(F)cc1)C1CC1)N1CCC[C@H]1c1ccc[nH]1.
What is the InChIKey of (2S)-N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is XQOIZYLHXYPMSM-ROUUACIJSA-N. The full InChI is InChI=1S/C19H22FN3O/c20-15-9-7-14(8-10-15)18(13-5-6-13)22-19(24)23-12-2-4-17(23)16-3-1-11-21-16/h1,3,7-11,13,17-18,21H,2,4-6,12H2,(H,22,24)/t17-,18-/m0/s1.
What are the key properties of (2S)-N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide?
(2S)-N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 327.40 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(S)-cyclopropyl-(4-fluorophenyl)methyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 97213920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).