2-chloro-4-fluoro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide

C17H14ClFN4O — CID 31438784

IUPAC2-chloro-4-fluoro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(F)cc1Cl)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C17H14ClFN4O/c1-11(22-17(24)15-7-4-13(19)8-16(15)18)12-2-5-14(6-3-12)23-10-20-9-21-23/h2-11H,1H3,(H,22,24)/t11-/m0/s1
InChIKeyUDOVUKHVKSHDGX-NSHDSACASA-N
MW344.78 g/mol
LogP3.55
Rot. Bonds4

About 2-chloro-4-fluoro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide

2-chloro-4-fluoro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide (PubChem CID 31438784) has the molecular formula C17H14ClFN4O and a molecular weight of 344.78 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
PubChem CID31438784
Molecular FormulaC17H14ClFN4O
Molecular Weight344.78 g/mol
Exact Mass344.08
IUPAC Name2-chloro-4-fluoro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(F)cc1Cl)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C17H14ClFN4O/c1-11(22-17(24)15-7-4-13(19)8-16(15)18)12-2-5-14(6-3-12)23-10-20-9-21-23/h2-11H,1H3,(H,22,24)/t11-/m0/s1
InChIKeyUDOVUKHVKSHDGX-NSHDSACASA-N
XLogP3.55
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.78
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-4-fluoro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide 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

2,4-dichloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 16574178
2,4-dichloro-5-fluoro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 78810362
2,5-dichloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiophene-3-carboxamide
CID 51199209
N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzamide
CID 47097751
2-chloro-4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103855757
6-chloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridine-3-carboxamide
CID 51197578
2,3-dichloro-N-[1-oxo-1-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylamino]propan-2-yl]benzamide
CID 55741370
2,3-dimethoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 45352345
3,5-dimethoxy-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 7582937
1-methyl-2-oxo-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridine-4-carboxamide
CID 35710633
4-oxo-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-pyridine-3-carboxamide
CID 99794445
4-(5-chlorothiophen-2-yl)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-pyrrole-3-carboxamide
CID 95151810

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide (CID 31438784) is 2-chloro-4-fluoro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide is C[C@H](NC(=O)c1ccc(F)cc1Cl)c1ccc(-n2cncn2)cc1.
What is the InChIKey of 2-chloro-4-fluoro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide?
The InChIKey is UDOVUKHVKSHDGX-NSHDSACASA-N. The full InChI is InChI=1S/C17H14ClFN4O/c1-11(22-17(24)15-7-4-13(19)8-16(15)18)12-2-5-14(6-3-12)23-10-20-9-21-23/h2-11H,1H3,(H,22,24)/t11-/m0/s1.
What are the key properties of 2-chloro-4-fluoro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide?
2-chloro-4-fluoro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide has a molecular weight of 344.78 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide is sourced from PubChem (CID 31438784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).