N-(benzotriazol-1-ylmethyl)-N-benzylbenzamide

C21H18N4O — CID 3739588

IUPACN-(benzotriazol-1-ylmethyl)-N-benzylbenzamide
SMILESO=C(c1ccccc1)N(Cc1ccccc1)Cn1nnc2ccccc21
InChIInChI=1S/C21H18N4O/c26-21(18-11-5-2-6-12-18)24(15-17-9-3-1-4-10-17)16-25-20-14-8-7-13-19(20)22-23-25/h1-14H,15-16H2
InChIKeyMVHZKJKHRFPFEU-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.73
Rot. Bonds5

About N-(benzotriazol-1-ylmethyl)-N-benzylbenzamide

N-(benzotriazol-1-ylmethyl)-N-benzylbenzamide (PubChem CID 3739588) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(benzotriazol-1-ylmethyl)-N-benzylbenzamide.

Molecular Properties

Compound NameN-(benzotriazol-1-ylmethyl)-N-benzylbenzamide
PubChem CID3739588
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC NameN-(benzotriazol-1-ylmethyl)-N-benzylbenzamide
SMILESO=C(c1ccccc1)N(Cc1ccccc1)Cn1nnc2ccccc21
InChIInChI=1S/C21H18N4O/c26-21(18-11-5-2-6-12-18)24(15-17-9-3-1-4-10-17)16-25-20-14-8-7-13-19(20)22-23-25/h1-14H,15-16H2
InChIKeyMVHZKJKHRFPFEU-UHFFFAOYSA-N
XLogP3.73
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzotriazol-1-yl)-N-benzyl-N-ethylacetamide
CID 166191100
N'-(benzotriazol-1-ylmethyl)-N'-phenylbenzohydrazide
CID 3839105
1,3-bis(benzotriazol-1-ylmethyl)-1,3-dimethylurea
CID 3839558
N,N-bis(benzotriazol-1-ylmethyl)-3-phenylpropan-1-amine
CID 3742816
3-(benzotriazol-1-yl)-1-phenylpropan-1-one
CID 3759222
ethyl 4-[benzotriazol-1-ylmethyl(benzyl)amino]butanoate
CID 118230372
4-(benzotriazol-1-ylmethyl)-N-butyl-N-phenylbenzamide
CID 36667910
1-(benzotriazol-1-ylmethyl)-1,3-dimethylurea
CID 3662418
2-(benzotriazol-1-yl)-N-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]acetamide
CID 166227374
2-(benzotriazol-1-yloxy)-N-benzyl-N-(2-phenylethyl)acetamide
CID 7668531
N-(benzotriazol-1-ylmethyl)-N-phenylnitrous amide
CID 3775401
N,N-dibenzyl-3-(tetrazol-1-yl)benzamide
CID 51147950

Frequently Asked Questions

What is the IUPAC name of N-(benzotriazol-1-ylmethyl)-N-benzylbenzamide?
The IUPAC name of N-(benzotriazol-1-ylmethyl)-N-benzylbenzamide (CID 3739588) is N-(benzotriazol-1-ylmethyl)-N-benzylbenzamide.
What is the SMILES notation for N-(benzotriazol-1-ylmethyl)-N-benzylbenzamide?
The canonical SMILES for N-(benzotriazol-1-ylmethyl)-N-benzylbenzamide is O=C(c1ccccc1)N(Cc1ccccc1)Cn1nnc2ccccc21.
What is the InChIKey of N-(benzotriazol-1-ylmethyl)-N-benzylbenzamide?
The InChIKey is MVHZKJKHRFPFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c26-21(18-11-5-2-6-12-18)24(15-17-9-3-1-4-10-17)16-25-20-14-8-7-13-19(20)22-23-25/h1-14H,15-16H2.
What are the key properties of N-(benzotriazol-1-ylmethyl)-N-benzylbenzamide?
N-(benzotriazol-1-ylmethyl)-N-benzylbenzamide has a molecular weight of 342.40 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzotriazol-1-ylmethyl)-N-benzylbenzamide is sourced from PubChem (CID 3739588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).