(2R)-N-(4-chloro-2-pyridinyl)-2-phenyl-2-pyrrol-1-ylacetamide

C17H14ClN3O — CID 110205428

IUPAC(2R)-N-(4-chloro-2-pyridinyl)-2-phenyl-2-pyrrol-1-ylacetamide
SMILESO=C(Nc1cc(Cl)ccn1)[C@@H](c1ccccc1)n1cccc1
InChIInChI=1S/C17H14ClN3O/c18-14-8-9-19-15(12-14)20-17(22)16(21-10-4-5-11-21)13-6-2-1-3-7-13/h1-12,16H,(H,19,20,22)/t16-/m1/s1
InChIKeyQHPSBMPIRBNZIV-MRXNPFEDSA-N
MW311.77 g/mol
LogP3.76
Rot. Bonds4

About (2R)-N-(4-chloro-2-pyridinyl)-2-phenyl-2-pyrrol-1-ylacetamide

(2R)-N-(4-chloro-2-pyridinyl)-2-phenyl-2-pyrrol-1-ylacetamide (PubChem CID 110205428) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is (2R)-N-(4-chloro-2-pyridinyl)-2-phenyl-2-pyrrol-1-ylacetamide.

Molecular Properties

Compound Name(2R)-N-(4-chloro-2-pyridinyl)-2-phenyl-2-pyrrol-1-ylacetamide
PubChem CID110205428
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name(2R)-N-(4-chloro-2-pyridinyl)-2-phenyl-2-pyrrol-1-ylacetamide
SMILESO=C(Nc1cc(Cl)ccn1)[C@@H](c1ccccc1)n1cccc1
InChIInChI=1S/C17H14ClN3O/c18-14-8-9-19-15(12-14)20-17(22)16(21-10-4-5-11-21)13-6-2-1-3-7-13/h1-12,16H,(H,19,20,22)/t16-/m1/s1
InChIKeyQHPSBMPIRBNZIV-MRXNPFEDSA-N
XLogP3.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-2-pyrrol-1-yl-N-(1,3-thiazol-2-yl)acetamide
CID 52992847
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-pyrrol-1-ylacetamide
CID 52907271
N-(2-chlorophenyl)-2-phenyl-2-pyrrol-1-ylacetamide
CID 52992841
N-(4-chloro-2-pyridinyl)-2-methylbutanamide
CID 115626778
2-phenyl-2-pyrrol-1-yl-N-quinolin-5-ylacetamide
CID 52992860
1-(4-chloro-2-pyridinyl)-3-pyridin-2-ylurea
CID 108894678
(2S)-N-benzhydryl-2-phenyl-2-pyrrol-1-ylacetamide
CID 95367608
3-chloro-N-(4-chloro-2-pyridinyl)benzamide
CID 3011465
1-benzyl-3-(4-chloro-2-pyridinyl)urea
CID 108871348
N-(4-chloro-2-pyridinyl)-2-hydroxyacetamide
CID 83768276
(2R)-N-(4-bromo-3-methylphenyl)-2-phenyl-2-pyrrol-1-ylacetamide
CID 95367609
methyl N-[(2S)-1-[(4-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]carbamate
CID 75393221

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-chloro-2-pyridinyl)-2-phenyl-2-pyrrol-1-ylacetamide?
The IUPAC name of (2R)-N-(4-chloro-2-pyridinyl)-2-phenyl-2-pyrrol-1-ylacetamide (CID 110205428) is (2R)-N-(4-chloro-2-pyridinyl)-2-phenyl-2-pyrrol-1-ylacetamide.
What is the SMILES notation for (2R)-N-(4-chloro-2-pyridinyl)-2-phenyl-2-pyrrol-1-ylacetamide?
The canonical SMILES for (2R)-N-(4-chloro-2-pyridinyl)-2-phenyl-2-pyrrol-1-ylacetamide is O=C(Nc1cc(Cl)ccn1)[C@@H](c1ccccc1)n1cccc1.
What is the InChIKey of (2R)-N-(4-chloro-2-pyridinyl)-2-phenyl-2-pyrrol-1-ylacetamide?
The InChIKey is QHPSBMPIRBNZIV-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H14ClN3O/c18-14-8-9-19-15(12-14)20-17(22)16(21-10-4-5-11-21)13-6-2-1-3-7-13/h1-12,16H,(H,19,20,22)/t16-/m1/s1.
What are the key properties of (2R)-N-(4-chloro-2-pyridinyl)-2-phenyl-2-pyrrol-1-ylacetamide?
(2R)-N-(4-chloro-2-pyridinyl)-2-phenyl-2-pyrrol-1-ylacetamide has a molecular weight of 311.77 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-chloro-2-pyridinyl)-2-phenyl-2-pyrrol-1-ylacetamide is sourced from PubChem (CID 110205428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).