4-[(6-chlorobenzotriazol-1-yl)oxymethyl]-N-phenylbenzamide

C20H15ClN4O2 — CID 7697148

IUPAC4-[(6-chlorobenzotriazol-1-yl)oxymethyl]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(COn2nnc3ccc(Cl)cc32)cc1
InChIInChI=1S/C20H15ClN4O2/c21-16-10-11-18-19(12-16)25(24-23-18)27-13-14-6-8-15(9-7-14)20(26)22-17-4-2-1-3-5-17/h1-12H,13H2,(H,22,26)
InChIKeyNVHBTWIMBFFMNH-UHFFFAOYSA-N
MW378.82 g/mol
LogP3.97
Rot. Bonds5

About 4-[(6-chlorobenzotriazol-1-yl)oxymethyl]-N-phenylbenzamide

4-[(6-chlorobenzotriazol-1-yl)oxymethyl]-N-phenylbenzamide (PubChem CID 7697148) has the molecular formula C20H15ClN4O2 and a molecular weight of 378.82 g/mol. Its IUPAC name is 4-[(6-chlorobenzotriazol-1-yl)oxymethyl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[(6-chlorobenzotriazol-1-yl)oxymethyl]-N-phenylbenzamide
PubChem CID7697148
Molecular FormulaC20H15ClN4O2
Molecular Weight378.82 g/mol
Exact Mass378.09
IUPAC Name4-[(6-chlorobenzotriazol-1-yl)oxymethyl]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(COn2nnc3ccc(Cl)cc32)cc1
InChIInChI=1S/C20H15ClN4O2/c21-16-10-11-18-19(12-16)25(24-23-18)27-13-14-6-8-15(9-7-14)20(26)22-17-4-2-1-3-5-17/h1-12H,13H2,(H,22,26)
InChIKeyNVHBTWIMBFFMNH-UHFFFAOYSA-N
XLogP3.97
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(6-chlorobenzotriazol-1-yl)oxyacetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 26054829
4-[(6-chlorobenzotriazol-1-yl)oxymethyl]benzonitrile
CID 7686868
[4-(phenylcarbamoyl)phenyl]methyl 2-(5-chloro-2-methoxyphenyl)acetate
CID 8616393
6-chloro-1-(naphthalen-1-ylmethoxy)benzotriazole
CID 7919256
[4-(phenylcarbamoyl)phenyl]methyl 2,6-dichlorobenzoate
CID 7723510
N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1100705
4-(benzotriazol-1-ylmethyl)-N-pyridin-4-ylbenzamide
CID 27700431
(2R)-N-(4-acetylphenyl)-2-(6-chlorobenzotriazol-1-yl)oxypropanamide
CID 41095144
1-[2-[2-(6-chlorobenzotriazol-1-yl)oxyethoxy]phenyl]ethanone
CID 26054847
N-(4-carbamoylphenyl)-1-[(4-chlorophenyl)methoxy]-2-oxopyridine-3-carboxamide
CID 110382726
N-(4-chlorophenyl)benzamide;hydrochloride
CID 139912610
4-(benzotriazol-1-ylmethyl)-N-(3-sulfamoylphenyl)benzamide
CID 9073027

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chlorobenzotriazol-1-yl)oxymethyl]-N-phenylbenzamide?
The IUPAC name of 4-[(6-chlorobenzotriazol-1-yl)oxymethyl]-N-phenylbenzamide (CID 7697148) is 4-[(6-chlorobenzotriazol-1-yl)oxymethyl]-N-phenylbenzamide.
What is the SMILES notation for 4-[(6-chlorobenzotriazol-1-yl)oxymethyl]-N-phenylbenzamide?
The canonical SMILES for 4-[(6-chlorobenzotriazol-1-yl)oxymethyl]-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccc(COn2nnc3ccc(Cl)cc32)cc1.
What is the InChIKey of 4-[(6-chlorobenzotriazol-1-yl)oxymethyl]-N-phenylbenzamide?
The InChIKey is NVHBTWIMBFFMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2/c21-16-10-11-18-19(12-16)25(24-23-18)27-13-14-6-8-15(9-7-14)20(26)22-17-4-2-1-3-5-17/h1-12H,13H2,(H,22,26).
What are the key properties of 4-[(6-chlorobenzotriazol-1-yl)oxymethyl]-N-phenylbenzamide?
4-[(6-chlorobenzotriazol-1-yl)oxymethyl]-N-phenylbenzamide has a molecular weight of 378.82 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chlorobenzotriazol-1-yl)oxymethyl]-N-phenylbenzamide is sourced from PubChem (CID 7697148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).