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

C18H17ClN4O — CID 16602955

IUPACN-[1-(4-chlorophenyl)propyl]-4-(1,2,4-triazol-1-yl)benzamide
SMILESCCC(NC(=O)c1ccc(-n2cncn2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN4O/c1-2-17(13-3-7-15(19)8-4-13)22-18(24)14-5-9-16(10-6-14)23-12-20-11-21-23/h3-12,17H,2H2,1H3,(H,22,24)
InChIKeyNKVHAXXRAKTCEA-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.80
Rot. Bonds5

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

N-[1-(4-chlorophenyl)propyl]-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 16602955) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propyl]-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propyl]-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID16602955
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC NameN-[1-(4-chlorophenyl)propyl]-4-(1,2,4-triazol-1-yl)benzamide
SMILESCCC(NC(=O)c1ccc(-n2cncn2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN4O/c1-2-17(13-3-7-15(19)8-4-13)22-18(24)14-5-9-16(10-6-14)23-12-20-11-21-23/h3-12,17H,2H2,1H3,(H,22,24)
InChIKeyNKVHAXXRAKTCEA-UHFFFAOYSA-N
XLogP3.80
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 110004658
N-[(1R)-1-(4-chlorophenyl)propyl]-4-(1,2,4-triazol-4-yl)benzamide
CID 52522157
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 841144
N-[3-(4-chlorophenyl)pentan-3-yl]-4-(1,2,4-triazol-1-yl)benzamide
CID 56521068
2,4-dichloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 16574178
propan-2-yl 3-phenyl-3-[[4-(1,2,4-triazol-1-yl)benzoyl]amino]propanoate
CID 51256987
N-[(1R)-1-(4-methoxyphenyl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 51490228
4-chloro-N-[1-oxo-3-phenyl-1-[4-(1,2,4-triazol-1-yl)anilino]propan-2-yl]benzamide
CID 55909729
6-chloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridine-3-carboxamide
CID 51197578
N-[(1S)-1-(4-chlorophenyl)propyl]furan-3-carboxamide
CID 41490385
4-chloro-N-[(1S)-1-(3,4-dimethylphenyl)propyl]benzamide
CID 99994348
N-[1-(4-chlorophenyl)propyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 17467880

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propyl]-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-[1-(4-chlorophenyl)propyl]-4-(1,2,4-triazol-1-yl)benzamide (CID 16602955) is N-[1-(4-chlorophenyl)propyl]-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)propyl]-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)propyl]-4-(1,2,4-triazol-1-yl)benzamide is CCC(NC(=O)c1ccc(-n2cncn2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)propyl]-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is NKVHAXXRAKTCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-2-17(13-3-7-15(19)8-4-13)22-18(24)14-5-9-16(10-6-14)23-12-20-11-21-23/h3-12,17H,2H2,1H3,(H,22,24).
What are the key properties of N-[1-(4-chlorophenyl)propyl]-4-(1,2,4-triazol-1-yl)benzamide?
N-[1-(4-chlorophenyl)propyl]-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 340.81 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propyl]-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 16602955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).