2-(3-chlorophenyl)-4,4,4-trifluoro-N-[4-(hydroxymethyl)-3-pyridinyl]butanamide

C16H14ClF3N2O2 — CID 167930241

IUPAC2-(3-chlorophenyl)-4,4,4-trifluoro-N-[4-(hydroxymethyl)-3-pyridinyl]butanamide
SMILESO=C(Nc1cnccc1CO)C(CC(F)(F)F)c1cccc(Cl)c1
InChIInChI=1S/C16H14ClF3N2O2/c17-12-3-1-2-10(6-12)13(7-16(18,19)20)15(24)22-14-8-21-5-4-11(14)9-23/h1-6,8,13,23H,7,9H2,(H,22,24)
InChIKeyAOINQHITQHSPLP-UHFFFAOYSA-N
MW358.75 g/mol
LogP3.90
Rot. Bonds5

About 2-(3-chlorophenyl)-4,4,4-trifluoro-N-[4-(hydroxymethyl)-3-pyridinyl]butanamide

2-(3-chlorophenyl)-4,4,4-trifluoro-N-[4-(hydroxymethyl)-3-pyridinyl]butanamide (PubChem CID 167930241) has the molecular formula C16H14ClF3N2O2 and a molecular weight of 358.75 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4,4,4-trifluoro-N-[4-(hydroxymethyl)-3-pyridinyl]butanamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4,4,4-trifluoro-N-[4-(hydroxymethyl)-3-pyridinyl]butanamide
PubChem CID167930241
Molecular FormulaC16H14ClF3N2O2
Molecular Weight358.75 g/mol
Exact Mass358.07
IUPAC Name2-(3-chlorophenyl)-4,4,4-trifluoro-N-[4-(hydroxymethyl)-3-pyridinyl]butanamide
SMILESO=C(Nc1cnccc1CO)C(CC(F)(F)F)c1cccc(Cl)c1
InChIInChI=1S/C16H14ClF3N2O2/c17-12-3-1-2-10(6-12)13(7-16(18,19)20)15(24)22-14-8-21-5-4-11(14)9-23/h1-6,8,13,23H,7,9H2,(H,22,24)
InChIKeyAOINQHITQHSPLP-UHFFFAOYSA-N
XLogP3.90
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.75
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-chlorophenyl)-4,4,4-trifluoro-N-[4-(hydroxymethyl)-3-pyridinyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chlorophenyl)-N-[4-(dimethylamino)-3-pyridinyl]butanamide
CID 166355511
N-[(1S)-1-(3-chlorophenyl)-3,3,3-trifluoropropyl]acetamide
CID 139194092
2-(3-chlorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]propanamide
CID 167839767
tert-butyl N-[1-(3-chlorophenyl)-2-[(4-methyl-3-pyridinyl)amino]-2-oxoethyl]carbamate
CID 166212553
N-[4-(hydroxymethyl)-3-pyridinyl]prop-2-enamide
CID 162345670
1-(3-chlorophenyl)-3-[2-(hydroxymethyl)phenyl]urea
CID 4169533
(2S)-2-(3-chlorophenoxy)-N-(3-fluoro-4-pyridinyl)propanamide
CID 124574267
1-[5-chloro-2-(hydroxymethyl)phenyl]-3-(3-chlorophenyl)urea
CID 156854371
N-[1-(3-chlorophenyl)ethyl]-3-(trifluoromethyl)pyridine-4-carboxamide
CID 166229323
(4R)-5-[4-chloro-2-(2,2,2-trifluoroacetyl)anilino]-2,2-dimethyl-5-oxo-4-phenylpentanoic acid
CID 123516313
3-(3-chlorophenyl)-3-(pyridin-4-ylcarbamothioylamino)propanoic acid
CID 133203238
3-fluoro-N-[2-(hydroxymethyl)phenyl]pyridine-4-carboxamide
CID 64950888

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4,4,4-trifluoro-N-[4-(hydroxymethyl)-3-pyridinyl]butanamide?
The IUPAC name of 2-(3-chlorophenyl)-4,4,4-trifluoro-N-[4-(hydroxymethyl)-3-pyridinyl]butanamide (CID 167930241) is 2-(3-chlorophenyl)-4,4,4-trifluoro-N-[4-(hydroxymethyl)-3-pyridinyl]butanamide.
What is the SMILES notation for 2-(3-chlorophenyl)-4,4,4-trifluoro-N-[4-(hydroxymethyl)-3-pyridinyl]butanamide?
The canonical SMILES for 2-(3-chlorophenyl)-4,4,4-trifluoro-N-[4-(hydroxymethyl)-3-pyridinyl]butanamide is O=C(Nc1cnccc1CO)C(CC(F)(F)F)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-4,4,4-trifluoro-N-[4-(hydroxymethyl)-3-pyridinyl]butanamide?
The InChIKey is AOINQHITQHSPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N2O2/c17-12-3-1-2-10(6-12)13(7-16(18,19)20)15(24)22-14-8-21-5-4-11(14)9-23/h1-6,8,13,23H,7,9H2,(H,22,24).
What are the key properties of 2-(3-chlorophenyl)-4,4,4-trifluoro-N-[4-(hydroxymethyl)-3-pyridinyl]butanamide?
2-(3-chlorophenyl)-4,4,4-trifluoro-N-[4-(hydroxymethyl)-3-pyridinyl]butanamide has a molecular weight of 358.75 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4,4,4-trifluoro-N-[4-(hydroxymethyl)-3-pyridinyl]butanamide is sourced from PubChem (CID 167930241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).