2-chloro-N-[1-(4-fluorophenyl)propyl]-4-(1,2,4-triazol-4-yl)benzamide

C18H16ClFN4O — CID 16677584

IUPAC2-chloro-N-[1-(4-fluorophenyl)propyl]-4-(1,2,4-triazol-4-yl)benzamide
SMILESCCC(NC(=O)c1ccc(-n2cnnc2)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C18H16ClFN4O/c1-2-17(12-3-5-13(20)6-4-12)23-18(25)15-8-7-14(9-16(15)19)24-10-21-22-11-24/h3-11,17H,2H2,1H3,(H,23,25)
InChIKeyYACTWALMFYHPCF-UHFFFAOYSA-N
MW358.80 g/mol
LogP3.94
Rot. Bonds5

About 2-chloro-N-[1-(4-fluorophenyl)propyl]-4-(1,2,4-triazol-4-yl)benzamide

2-chloro-N-[1-(4-fluorophenyl)propyl]-4-(1,2,4-triazol-4-yl)benzamide (PubChem CID 16677584) has the molecular formula C18H16ClFN4O and a molecular weight of 358.80 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-fluorophenyl)propyl]-4-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(4-fluorophenyl)propyl]-4-(1,2,4-triazol-4-yl)benzamide
PubChem CID16677584
Molecular FormulaC18H16ClFN4O
Molecular Weight358.80 g/mol
Exact Mass358.10
IUPAC Name2-chloro-N-[1-(4-fluorophenyl)propyl]-4-(1,2,4-triazol-4-yl)benzamide
SMILESCCC(NC(=O)c1ccc(-n2cnnc2)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C18H16ClFN4O/c1-2-17(12-3-5-13(20)6-4-12)23-18(25)15-8-7-14(9-16(15)19)24-10-21-22-11-24/h3-11,17H,2H2,1H3,(H,23,25)
InChIKeyYACTWALMFYHPCF-UHFFFAOYSA-N
XLogP3.94
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.80
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-4-(1,2,4-triazol-4-yl)benzamide
CID 6460430
N-(3-chloro-4-methylphenyl)-3-(1H-tetrazol-1-yl)benzamide
CID 9405625
2-chloro-N-phenyl-5-(4H-1,2,4-triazol-4-yl)benzamide
CID 834473
2-chloro-N-(4-methylphenyl)-5-(4H-1,2,4-triazol-4-yl)benzamide
CID 834481
2-chloro-N-cyclohexyl-5-(4H-1,2,4-triazol-4-yl)benzamide
CID 834474
2-chloro-N-isopropyl-5-(4H-1,2,4-triazol-4-yl)benzamide
CID 834461
2-chloro-N-methyl-N-phenyl-5-(4H-1,2,4-triazol-4-yl)benzamide
CID 834480
2-chloro-N-(2,4-dimethylphenyl)-5-(1,2,4-triazol-4-yl)benzamide
CID 834482
2-chloro-4-fluoro-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 24399068
N-(4-chloro-2-fluorophenyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 9267240
N-[4-(acetylamino)phenyl]-2-chloro-5-(4H-1,2,4-triazol-4-yl)benzamide
CID 1253143
N-[2-(cyclohexen-1-yl)ethyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 9120296

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4-fluorophenyl)propyl]-4-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 2-chloro-N-[1-(4-fluorophenyl)propyl]-4-(1,2,4-triazol-4-yl)benzamide (CID 16677584) is 2-chloro-N-[1-(4-fluorophenyl)propyl]-4-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 2-chloro-N-[1-(4-fluorophenyl)propyl]-4-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 2-chloro-N-[1-(4-fluorophenyl)propyl]-4-(1,2,4-triazol-4-yl)benzamide is CCC(NC(=O)c1ccc(-n2cnnc2)cc1Cl)c1ccc(F)cc1.
What is the InChIKey of 2-chloro-N-[1-(4-fluorophenyl)propyl]-4-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is YACTWALMFYHPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN4O/c1-2-17(12-3-5-13(20)6-4-12)23-18(25)15-8-7-14(9-16(15)19)24-10-21-22-11-24/h3-11,17H,2H2,1H3,(H,23,25).
What are the key properties of 2-chloro-N-[1-(4-fluorophenyl)propyl]-4-(1,2,4-triazol-4-yl)benzamide?
2-chloro-N-[1-(4-fluorophenyl)propyl]-4-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 358.80 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(4-fluorophenyl)propyl]-4-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 16677584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).