3,5-dichloro-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide

C17H14Cl2N4O — CID 55751554

IUPAC3,5-dichloro-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(Cn2cncn2)c1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H14Cl2N4O/c18-15-5-14(6-16(19)7-15)17(24)21-8-12-2-1-3-13(4-12)9-23-11-20-10-22-23/h1-7,10-11H,8-9H2,(H,21,24)
InChIKeyKERCBBFVJPAJNC-UHFFFAOYSA-N
MW361.23 g/mol
LogP3.56
Rot. Bonds5

About 3,5-dichloro-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide

3,5-dichloro-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 55751554) has the molecular formula C17H14Cl2N4O and a molecular weight of 361.23 g/mol. Its IUPAC name is 3,5-dichloro-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID55751554
Molecular FormulaC17H14Cl2N4O
Molecular Weight361.23 g/mol
Exact Mass360.05
IUPAC Name3,5-dichloro-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(Cn2cncn2)c1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H14Cl2N4O/c18-15-5-14(6-16(19)7-15)17(24)21-8-12-2-1-3-13(4-12)9-23-11-20-10-22-23/h1-7,10-11H,8-9H2,(H,21,24)
InChIKeyKERCBBFVJPAJNC-UHFFFAOYSA-N
XLogP3.56
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(diethylaminomethyl)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55867992
N-[(4-methylphenyl)methyl]-3-(1,2,4-triazol-1-ylmethyl)benzamide
CID 46394848
2-oxo-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
CID 56815944
4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55973463
2-(3,4-dichlorophenoxy)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55867604
3-fluoro-4-methyl-N-[2-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methylcarbamoylamino]ethyl]benzamide
CID 55793823
N-[3-[[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 55863137
2-[(2-chlorophenyl)methoxy]-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 47058694
N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-3-carboxamide
CID 18132522
3-(4-methylphenyl)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 55751519
3-(1,2,4-triazol-1-ylmethyl)benzoic acid
CID 3159713
N-[(3-aminophenyl)methyl]-3,5-dichlorobenzamide
CID 62499613

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide (CID 55751554) is 3,5-dichloro-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide is O=C(NCc1cccc(Cn2cncn2)c1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is KERCBBFVJPAJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O/c18-15-5-14(6-16(19)7-15)17(24)21-8-12-2-1-3-13(4-12)9-23-11-20-10-22-23/h1-7,10-11H,8-9H2,(H,21,24).
What are the key properties of 3,5-dichloro-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide?
3,5-dichloro-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 361.23 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 55751554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).