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

C18H17ClN4O — CID 52522157

IUPACN-[(1R)-1-(4-chlorophenyl)propyl]-4-(1,2,4-triazol-4-yl)benzamide
SMILESCC[C@@H](NC(=O)c1ccc(-n2cnnc2)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)23-11-20-21-12-23/h3-12,17H,2H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyWVJIBKMLRHOHOI-QGZVFWFLSA-N
MW340.81 g/mol
LogP3.80
Rot. Bonds5

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

N-[(1R)-1-(4-chlorophenyl)propyl]-4-(1,2,4-triazol-4-yl)benzamide (PubChem CID 52522157) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)propyl]-4-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)propyl]-4-(1,2,4-triazol-4-yl)benzamide
PubChem CID52522157
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC NameN-[(1R)-1-(4-chlorophenyl)propyl]-4-(1,2,4-triazol-4-yl)benzamide
SMILESCC[C@@H](NC(=O)c1ccc(-n2cnnc2)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)23-11-20-21-12-23/h3-12,17H,2H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyWVJIBKMLRHOHOI-QGZVFWFLSA-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)propyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 16602955
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 841144
2-chloro-N-[(1R)-1-phenylpropyl]-5-(1,2,4-triazol-4-yl)benzamide
CID 834464
2-chloro-N-[(1S)-1-(4-fluorophenyl)propyl]-4-(1,2,4-triazol-4-yl)benzamide
CID 51495989
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
N-[1-(4-chlorophenyl)propyl]-4-(3-hydroxyoxetan-3-yl)benzamide
CID 166266588
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 110004658
N-[1-(4-chlorophenyl)propyl]-2,6-dimethylpyridine-3-carboxamide
CID 55871607
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
N-(1-phenylpropyl)-4-propan-2-ylbenzamide
CID 17327920

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)propyl]-4-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)propyl]-4-(1,2,4-triazol-4-yl)benzamide (CID 52522157) is N-[(1R)-1-(4-chlorophenyl)propyl]-4-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)propyl]-4-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)propyl]-4-(1,2,4-triazol-4-yl)benzamide is CC[C@@H](NC(=O)c1ccc(-n2cnnc2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)propyl]-4-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is WVJIBKMLRHOHOI-QGZVFWFLSA-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)23-11-20-21-12-23/h3-12,17H,2H2,1H3,(H,22,24)/t17-/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)propyl]-4-(1,2,4-triazol-4-yl)benzamide?
N-[(1R)-1-(4-chlorophenyl)propyl]-4-(1,2,4-triazol-4-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-[(1R)-1-(4-chlorophenyl)propyl]-4-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 52522157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).