2-chloro-N-[(1R)-1-phenylpropyl]-5-(1,2,4-triazol-4-yl)benzamide

C18H17ClN4O — CID 834464

IUPAC2-chloro-N-[(1R)-1-phenylpropyl]-5-(1,2,4-triazol-4-yl)benzamide
SMILESCC[C@@H](NC(=O)c1cc(-n2cnnc2)ccc1Cl)c1ccccc1
InChIInChI=1S/C18H17ClN4O/c1-2-17(13-6-4-3-5-7-13)22-18(24)15-10-14(8-9-16(15)19)23-11-20-21-12-23/h3-12,17H,2H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyXNLCAJDXSUKVOX-QGZVFWFLSA-N
MW340.81 g/mol
LogP3.80
Rot. Bonds5

About 2-chloro-N-[(1R)-1-phenylpropyl]-5-(1,2,4-triazol-4-yl)benzamide

2-chloro-N-[(1R)-1-phenylpropyl]-5-(1,2,4-triazol-4-yl)benzamide (PubChem CID 834464) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is 2-chloro-N-[(1R)-1-phenylpropyl]-5-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1R)-1-phenylpropyl]-5-(1,2,4-triazol-4-yl)benzamide
PubChem CID834464
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name2-chloro-N-[(1R)-1-phenylpropyl]-5-(1,2,4-triazol-4-yl)benzamide
SMILESCC[C@@H](NC(=O)c1cc(-n2cnnc2)ccc1Cl)c1ccccc1
InChIInChI=1S/C18H17ClN4O/c1-2-17(13-6-4-3-5-7-13)22-18(24)15-10-14(8-9-16(15)19)23-11-20-21-12-23/h3-12,17H,2H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyXNLCAJDXSUKVOX-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

2-chloro-N-[(1S)-1-(4-fluorophenyl)propyl]-4-(1,2,4-triazol-4-yl)benzamide
CID 51495989
N-[(1R)-1-(4-chlorophenyl)propyl]-4-(1,2,4-triazol-4-yl)benzamide
CID 52522157
2-chloro-N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-5-(1,2,4-triazol-4-yl)benzamide
CID 100906985
5-(azepan-1-ylsulfonyl)-2-chloro-N-[(1R)-1-phenylpropyl]benzamide
CID 94028099
2-bromo-N-[(1R)-1-phenylethyl]-5-(1,2,4-triazol-4-yl)benzamide
CID 51701500
2-chloro-4-(methanesulfonamido)-N-(1-phenylpropyl)benzamide
CID 43876402
2,5-dichloro-N-(2-chloro-1-phenylethyl)benzamide
CID 114300057
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
2,5-dihydroxy-N-(1-phenylpropyl)benzamide
CID 107722884
2,5-dichloro-N-[1-(4-chlorophenyl)propyl]pyridine-4-carboxamide
CID 114917750
4-(benzenesulfonamido)-2-chloro-N-[(1S)-1-phenylpropyl]benzamide
CID 28564561
N-(1-phenylpropyl)pyridine-2-carboxamide
CID 5305559

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R)-1-phenylpropyl]-5-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 2-chloro-N-[(1R)-1-phenylpropyl]-5-(1,2,4-triazol-4-yl)benzamide (CID 834464) is 2-chloro-N-[(1R)-1-phenylpropyl]-5-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 2-chloro-N-[(1R)-1-phenylpropyl]-5-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 2-chloro-N-[(1R)-1-phenylpropyl]-5-(1,2,4-triazol-4-yl)benzamide is CC[C@@H](NC(=O)c1cc(-n2cnnc2)ccc1Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-[(1R)-1-phenylpropyl]-5-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is XNLCAJDXSUKVOX-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-2-17(13-6-4-3-5-7-13)22-18(24)15-10-14(8-9-16(15)19)23-11-20-21-12-23/h3-12,17H,2H2,1H3,(H,22,24)/t17-/m1/s1.
What are the key properties of 2-chloro-N-[(1R)-1-phenylpropyl]-5-(1,2,4-triazol-4-yl)benzamide?
2-chloro-N-[(1R)-1-phenylpropyl]-5-(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 2-chloro-N-[(1R)-1-phenylpropyl]-5-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 834464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).