N-[(R)-benzotriazol-1-yl(phenyl)methyl]acetamide

C15H14N4O — CID 785376

IUPACN-[(R)-benzotriazol-1-yl(phenyl)methyl]acetamide
SMILESCC(=O)N[C@@H](c1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C15H14N4O/c1-11(20)16-15(12-7-3-2-4-8-12)19-14-10-6-5-9-13(14)17-18-19/h2-10,15H,1H3,(H,16,20)/t15-/m1/s1
InChIKeyOEACZQFFLJPELM-OAHLLOKOSA-N
MW266.30 g/mol
LogP2.11
Rot. Bonds3

About N-[(R)-benzotriazol-1-yl(phenyl)methyl]acetamide

N-[(R)-benzotriazol-1-yl(phenyl)methyl]acetamide (PubChem CID 785376) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[(R)-benzotriazol-1-yl(phenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(R)-benzotriazol-1-yl(phenyl)methyl]acetamide
PubChem CID785376
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN-[(R)-benzotriazol-1-yl(phenyl)methyl]acetamide
SMILESCC(=O)N[C@@H](c1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C15H14N4O/c1-11(20)16-15(12-7-3-2-4-8-12)19-14-10-6-5-9-13(14)17-18-19/h2-10,15H,1H3,(H,16,20)/t15-/m1/s1
InChIKeyOEACZQFFLJPELM-OAHLLOKOSA-N
XLogP2.11
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[benzotriazol-1-yl-(3-methylphenyl)methyl]acetamide
CID 3174355
N-[benzotriazol-1-yl-(4-nitrophenyl)methyl]acetamide
CID 3710578
N-[(S)-benzotriazol-1-yl(phenyl)methyl]pyridine-3-carboxamide
CID 688290
N-[3-(benzotriazol-1-yl)-3-oxo-1-phenylpropyl]acetamide
CID 4796162
N-[2-benzamido-1,2-bis(benzotriazol-1-yl)ethyl]benzamide
CID 3504481
N-[benzotriazol-1-yl(phenyl)methyl]pyridin-2-amine
CID 5133674
N-[1-(benzotriazol-1-yl)ethyl]benzamide
CID 5121940
N-[1-(benzotriazol-1-yl)-2-methylpropyl]-N-methylacetamide
CID 10444605
N-[1-(benzotriazol-1-yl)propyl]benzamide
CID 3733737
2-(benzotriazol-1-yl)-2-(phenoxycarbonylamino)acetic acid
CID 18628958
[benzotriazol-1-yl(phenyl)methyl] 4-methoxybenzoate
CID 3743823
methyl 2-acetamido-3-(benzotriazol-1-yl)propanoate
CID 65441830

Frequently Asked Questions

What is the IUPAC name of N-[(R)-benzotriazol-1-yl(phenyl)methyl]acetamide?
The IUPAC name of N-[(R)-benzotriazol-1-yl(phenyl)methyl]acetamide (CID 785376) is N-[(R)-benzotriazol-1-yl(phenyl)methyl]acetamide.
What is the SMILES notation for N-[(R)-benzotriazol-1-yl(phenyl)methyl]acetamide?
The canonical SMILES for N-[(R)-benzotriazol-1-yl(phenyl)methyl]acetamide is CC(=O)N[C@@H](c1ccccc1)n1nnc2ccccc21.
What is the InChIKey of N-[(R)-benzotriazol-1-yl(phenyl)methyl]acetamide?
The InChIKey is OEACZQFFLJPELM-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H14N4O/c1-11(20)16-15(12-7-3-2-4-8-12)19-14-10-6-5-9-13(14)17-18-19/h2-10,15H,1H3,(H,16,20)/t15-/m1/s1.
What are the key properties of N-[(R)-benzotriazol-1-yl(phenyl)methyl]acetamide?
N-[(R)-benzotriazol-1-yl(phenyl)methyl]acetamide has a molecular weight of 266.30 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-benzotriazol-1-yl(phenyl)methyl]acetamide is sourced from PubChem (CID 785376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).