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

C18H17ClN4O2 — CID 18126602

IUPAC5-chloro-2-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCc1ccc(Cn2cncn2)cc1
InChIInChI=1S/C18H17ClN4O2/c1-25-17-7-6-15(19)8-16(17)18(24)21-9-13-2-4-14(5-3-13)10-23-12-20-11-22-23/h2-8,11-12H,9-10H2,1H3,(H,21,24)
InChIKeyDKXHJFGVOKBLED-UHFFFAOYSA-N
MW356.81 g/mol
LogP2.92
Rot. Bonds6

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

5-chloro-2-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 18126602) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID18126602
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name5-chloro-2-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCc1ccc(Cn2cncn2)cc1
InChIInChI=1S/C18H17ClN4O2/c1-25-17-7-6-15(19)8-16(17)18(24)21-9-13-2-4-14(5-3-13)10-23-12-20-11-22-23/h2-8,11-12H,9-10H2,1H3,(H,21,24)
InChIKeyDKXHJFGVOKBLED-UHFFFAOYSA-N
XLogP2.92
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578
4-chloro-2-methoxy-N'-[4-(1,2,4-triazol-1-ylmethyl)benzoyl]benzohydrazide
CID 30760557
5-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 71822169
N-[(2,5-dimethoxyphenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 33106422
2-hydroxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 18132348
2-methyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]furan-3-carboxamide
CID 18132456
1-(5-chloro-2-methoxybenzoyl)-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 55624520
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 47017921
2,6-dimethyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]quinoline-4-carboxamide
CID 18132304
5-chloro-2-methoxy-N-[[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]benzamide
CID 50810972
4-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 47449992
sodium 4-[4-[[(5-chloro-2-methoxybenzoyl)amino]methyl]phenyl]butanoate
CID 23716993

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide (CID 18126602) is 5-chloro-2-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide is COc1ccc(Cl)cc1C(=O)NCc1ccc(Cn2cncn2)cc1.
What is the InChIKey of 5-chloro-2-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is DKXHJFGVOKBLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-25-17-7-6-15(19)8-16(17)18(24)21-9-13-2-4-14(5-3-13)10-23-12-20-11-22-23/h2-8,11-12H,9-10H2,1H3,(H,21,24).
What are the key properties of 5-chloro-2-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide?
5-chloro-2-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 356.81 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 18126602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).