2,4-dichloro-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide

C16H12Cl2N4O — CID 47064609

IUPAC2,4-dichloro-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1Cn1cncn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl2N4O/c17-12-5-6-13(14(18)7-12)16(23)21-15-4-2-1-3-11(15)8-22-10-19-9-20-22/h1-7,9-10H,8H2,(H,21,23)
InChIKeyFPEZBYWDTGPLGT-UHFFFAOYSA-N
MW347.21 g/mol
LogP3.89
Rot. Bonds4

About 2,4-dichloro-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide

2,4-dichloro-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide (PubChem CID 47064609) has the molecular formula C16H12Cl2N4O and a molecular weight of 347.21 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
PubChem CID47064609
Molecular FormulaC16H12Cl2N4O
Molecular Weight347.21 g/mol
Exact Mass346.04
IUPAC Name2,4-dichloro-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1Cn1cncn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl2N4O/c17-12-5-6-13(14(18)7-12)16(23)21-15-4-2-1-3-11(15)8-22-10-19-9-20-22/h1-7,9-10H,8H2,(H,21,23)
InChIKeyFPEZBYWDTGPLGT-UHFFFAOYSA-N
XLogP3.89
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-[2-(chloromethyl)phenyl]benzamide
CID 114298395
2-(3-chlorophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 51121821
N-(2-ethylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 46394811
2-(2-chlorophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 55908667
3-(2-fluorophenyl)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 87031833
N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]-1,3-benzoxazole-2-carboxamide
CID 167957891
5-fluoro-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]-1H-indole-2-carboxamide
CID 86822053
2-(4-iodophenoxy)-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 55908267
2,5-dichloro-N-[2-(hydroxymethyl)phenyl]benzamide
CID 61497828
(2S)-2-methyl-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]hexanamide
CID 124846633
2,4-dichloro-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90562040
2,4-dichloro-N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 17088754

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide (CID 47064609) is 2,4-dichloro-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide is O=C(Nc1ccccc1Cn1cncn1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide?
The InChIKey is FPEZBYWDTGPLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4O/c17-12-5-6-13(14(18)7-12)16(23)21-15-4-2-1-3-11(15)8-22-10-19-9-20-22/h1-7,9-10H,8H2,(H,21,23).
What are the key properties of 2,4-dichloro-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide?
2,4-dichloro-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide has a molecular weight of 347.21 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 47064609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).