2-chloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzamide

C16H11Cl2FN4O — CID 4867176

IUPAC2-chloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzamide
SMILESO=C(Nc1ncn(Cc2ccc(F)cc2Cl)n1)c1ccccc1Cl
InChIInChI=1S/C16H11Cl2FN4O/c17-13-4-2-1-3-12(13)15(24)21-16-20-9-23(22-16)8-10-5-6-11(19)7-14(10)18/h1-7,9H,8H2,(H,21,22,24)
InChIKeySWYOZHWXSYSUPA-UHFFFAOYSA-N
MW365.20 g/mol
LogP4.02
Rot. Bonds4

About 2-chloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzamide

2-chloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzamide (PubChem CID 4867176) has the molecular formula C16H11Cl2FN4O and a molecular weight of 365.20 g/mol. Its IUPAC name is 2-chloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzamide
PubChem CID4867176
Molecular FormulaC16H11Cl2FN4O
Molecular Weight365.20 g/mol
Exact Mass364.03
IUPAC Name2-chloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzamide
SMILESO=C(Nc1ncn(Cc2ccc(F)cc2Cl)n1)c1ccccc1Cl
InChIInChI=1S/C16H11Cl2FN4O/c17-13-4-2-1-3-12(13)15(24)21-16-20-9-23(22-16)8-10-5-6-11(19)7-14(10)18/h1-7,9H,8H2,(H,21,22,24)
InChIKeySWYOZHWXSYSUPA-UHFFFAOYSA-N
XLogP4.02
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.20
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19402865
N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280841
N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19507192
N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
CID 19472183
3-(1-adamantyl)-N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-phenylpyrazole-4-carboxamide
CID 19473779
3-[4-[[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471311
N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19270302
1-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazole-3-carboxamide
CID 19274840
N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19557572
N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19463364
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxybenzamide
CID 19402880
N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-diphenylpyrazole-4-carboxamide
CID 19281392

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzamide (CID 4867176) is 2-chloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzamide is O=C(Nc1ncn(Cc2ccc(F)cc2Cl)n1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzamide?
The InChIKey is SWYOZHWXSYSUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2FN4O/c17-13-4-2-1-3-12(13)15(24)21-16-20-9-23(22-16)8-10-5-6-11(19)7-14(10)18/h1-7,9H,8H2,(H,21,22,24).
What are the key properties of 2-chloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzamide?
2-chloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzamide has a molecular weight of 365.20 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzamide is sourced from PubChem (CID 4867176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).