(3S)-N-(4-chloro-2-pyrrol-1-ylphenyl)-3-hydroxypyrrolidine-1-carboxamide

C15H16ClN3O2 — CID 111474822

IUPAC(3S)-N-(4-chloro-2-pyrrol-1-ylphenyl)-3-hydroxypyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1-n1cccc1)N1CC[C@H](O)C1
InChIInChI=1S/C15H16ClN3O2/c16-11-3-4-13(14(9-11)18-6-1-2-7-18)17-15(21)19-8-5-12(20)10-19/h1-4,6-7,9,12,20H,5,8,10H2,(H,17,21)/t12-/m0/s1
InChIKeyBHJONUKVBNOMPY-LBPRGKRZSA-N
MW305.76 g/mol
LogP2.73
Rot. Bonds2

About (3S)-N-(4-chloro-2-pyrrol-1-ylphenyl)-3-hydroxypyrrolidine-1-carboxamide

(3S)-N-(4-chloro-2-pyrrol-1-ylphenyl)-3-hydroxypyrrolidine-1-carboxamide (PubChem CID 111474822) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.76 g/mol. Its IUPAC name is (3S)-N-(4-chloro-2-pyrrol-1-ylphenyl)-3-hydroxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(4-chloro-2-pyrrol-1-ylphenyl)-3-hydroxypyrrolidine-1-carboxamide
PubChem CID111474822
Molecular FormulaC15H16ClN3O2
Molecular Weight305.76 g/mol
Exact Mass305.09
IUPAC Name(3S)-N-(4-chloro-2-pyrrol-1-ylphenyl)-3-hydroxypyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1-n1cccc1)N1CC[C@H](O)C1
InChIInChI=1S/C15H16ClN3O2/c16-11-3-4-13(14(9-11)18-6-1-2-7-18)17-15(21)19-8-5-12(20)10-19/h1-4,6-7,9,12,20H,5,8,10H2,(H,17,21)/t12-/m0/s1
InChIKeyBHJONUKVBNOMPY-LBPRGKRZSA-N
XLogP2.73
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-anilino-N-(4-chloro-2-pyrrol-1-ylphenyl)pyrrolidine-1-carboxamide
CID 99806472
1-[(3R)-1-acetylpyrrolidin-3-yl]-3-(4-chloro-2-pyrrol-1-ylphenyl)urea
CID 97092982
(3R)-N-(5-chloro-2-methoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430962
N-(4-chloro-2-fluorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 47032178
N-(2-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 62917965
1-(5-chloro-2-pyridinyl)-N-(4-chloro-2-pyrrol-1-ylphenyl)piperidine-4-carboxamide
CID 56582300
(3R)-N-(4-bromo-2-chloro-5-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 125141154
N-(3-chlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 17392993
3-hydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 62918134
(3R)-3-hydroxy-N-(2-methoxy-4-methylphenyl)pyrrolidine-1-carboxamide
CID 111431556
(3-fluoro-4-pyrrol-1-ylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561545
(5-chloro-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62918777

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-chloro-2-pyrrol-1-ylphenyl)-3-hydroxypyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-(4-chloro-2-pyrrol-1-ylphenyl)-3-hydroxypyrrolidine-1-carboxamide (CID 111474822) is (3S)-N-(4-chloro-2-pyrrol-1-ylphenyl)-3-hydroxypyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(4-chloro-2-pyrrol-1-ylphenyl)-3-hydroxypyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-(4-chloro-2-pyrrol-1-ylphenyl)-3-hydroxypyrrolidine-1-carboxamide is O=C(Nc1ccc(Cl)cc1-n1cccc1)N1CC[C@H](O)C1.
What is the InChIKey of (3S)-N-(4-chloro-2-pyrrol-1-ylphenyl)-3-hydroxypyrrolidine-1-carboxamide?
The InChIKey is BHJONUKVBNOMPY-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c16-11-3-4-13(14(9-11)18-6-1-2-7-18)17-15(21)19-8-5-12(20)10-19/h1-4,6-7,9,12,20H,5,8,10H2,(H,17,21)/t12-/m0/s1.
What are the key properties of (3S)-N-(4-chloro-2-pyrrol-1-ylphenyl)-3-hydroxypyrrolidine-1-carboxamide?
(3S)-N-(4-chloro-2-pyrrol-1-ylphenyl)-3-hydroxypyrrolidine-1-carboxamide has a molecular weight of 305.76 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-chloro-2-pyrrol-1-ylphenyl)-3-hydroxypyrrolidine-1-carboxamide is sourced from PubChem (CID 111474822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).