N-[(1S,2S)-2-(2-bromophenyl)cyclopentyl]-2-chloropyridine-3-carboxamide

C17H16BrClN2O — CID 125491431

IUPACN-[(1S,2S)-2-(2-bromophenyl)cyclopentyl]-2-chloropyridine-3-carboxamide
SMILESO=C(N[C@H]1CCC[C@H]1c1ccccc1Br)c1cccnc1Cl
InChIInChI=1S/C17H16BrClN2O/c18-14-8-2-1-5-11(14)12-6-3-9-15(12)21-17(22)13-7-4-10-20-16(13)19/h1-2,4-5,7-8,10,12,15H,3,6,9H2,(H,21,22)/t12-,15-/m0/s1
InChIKeyZYAAHFWHMDNTFK-WFASDCNBSA-N
MW379.69 g/mol
LogP4.56
Rot. Bonds3

About N-[(1S,2S)-2-(2-bromophenyl)cyclopentyl]-2-chloropyridine-3-carboxamide

N-[(1S,2S)-2-(2-bromophenyl)cyclopentyl]-2-chloropyridine-3-carboxamide (PubChem CID 125491431) has the molecular formula C17H16BrClN2O and a molecular weight of 379.69 g/mol. Its IUPAC name is N-[(1S,2S)-2-(2-bromophenyl)cyclopentyl]-2-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-(2-bromophenyl)cyclopentyl]-2-chloropyridine-3-carboxamide
PubChem CID125491431
Molecular FormulaC17H16BrClN2O
Molecular Weight379.69 g/mol
Exact Mass378.01
IUPAC NameN-[(1S,2S)-2-(2-bromophenyl)cyclopentyl]-2-chloropyridine-3-carboxamide
SMILESO=C(N[C@H]1CCC[C@H]1c1ccccc1Br)c1cccnc1Cl
InChIInChI=1S/C17H16BrClN2O/c18-14-8-2-1-5-11(14)12-6-3-9-15(12)21-17(22)13-7-4-10-20-16(13)19/h1-2,4-5,7-8,10,12,15H,3,6,9H2,(H,21,22)/t12-,15-/m0/s1
InChIKeyZYAAHFWHMDNTFK-WFASDCNBSA-N
XLogP4.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.69
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-(2-bromophenyl)cyclopentyl]-2-chloropyridine-3-carboxamide?
The IUPAC name of N-[(1S,2S)-2-(2-bromophenyl)cyclopentyl]-2-chloropyridine-3-carboxamide (CID 125491431) is N-[(1S,2S)-2-(2-bromophenyl)cyclopentyl]-2-chloropyridine-3-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-(2-bromophenyl)cyclopentyl]-2-chloropyridine-3-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-(2-bromophenyl)cyclopentyl]-2-chloropyridine-3-carboxamide is O=C(N[C@H]1CCC[C@H]1c1ccccc1Br)c1cccnc1Cl.
What is the InChIKey of N-[(1S,2S)-2-(2-bromophenyl)cyclopentyl]-2-chloropyridine-3-carboxamide?
The InChIKey is ZYAAHFWHMDNTFK-WFASDCNBSA-N. The full InChI is InChI=1S/C17H16BrClN2O/c18-14-8-2-1-5-11(14)12-6-3-9-15(12)21-17(22)13-7-4-10-20-16(13)19/h1-2,4-5,7-8,10,12,15H,3,6,9H2,(H,21,22)/t12-,15-/m0/s1.
What are the key properties of N-[(1S,2S)-2-(2-bromophenyl)cyclopentyl]-2-chloropyridine-3-carboxamide?
N-[(1S,2S)-2-(2-bromophenyl)cyclopentyl]-2-chloropyridine-3-carboxamide has a molecular weight of 379.69 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-(2-bromophenyl)cyclopentyl]-2-chloropyridine-3-carboxamide is sourced from PubChem (CID 125491431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).