2-(benzotriazol-1-yl)-N-[1-(3-chlorophenyl)propyl]acetamide

C17H17ClN4O — CID 134035226

IUPAC2-(benzotriazol-1-yl)-N-[1-(3-chlorophenyl)propyl]acetamide
SMILESCCC(NC(=O)Cn1nnc2ccccc21)c1cccc(Cl)c1
InChIInChI=1S/C17H17ClN4O/c1-2-14(12-6-5-7-13(18)10-12)19-17(23)11-22-16-9-4-3-8-15(16)20-21-22/h3-10,14H,2,11H2,1H3,(H,19,23)
InChIKeyQHPTTYVDWGLQQE-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.35
Rot. Bonds5

About 2-(benzotriazol-1-yl)-N-[1-(3-chlorophenyl)propyl]acetamide

2-(benzotriazol-1-yl)-N-[1-(3-chlorophenyl)propyl]acetamide (PubChem CID 134035226) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[1-(3-chlorophenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[1-(3-chlorophenyl)propyl]acetamide
PubChem CID134035226
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name2-(benzotriazol-1-yl)-N-[1-(3-chlorophenyl)propyl]acetamide
SMILESCCC(NC(=O)Cn1nnc2ccccc21)c1cccc(Cl)c1
InChIInChI=1S/C17H17ClN4O/c1-2-14(12-6-5-7-13(18)10-12)19-17(23)11-22-16-9-4-3-8-15(16)20-21-22/h3-10,14H,2,11H2,1H3,(H,19,23)
InChIKeyQHPTTYVDWGLQQE-UHFFFAOYSA-N
XLogP3.35
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzotriazol-1-yl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 8025608
methyl (3S)-3-[[2-(benzotriazol-1-yl)acetyl]amino]-3-(4-chlorophenyl)propanoate
CID 51532512
N-[1-(4-chlorophenyl)propyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 24600817
2-(benzotriazol-1-yl)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 51189619
N-[1-(3-chlorophenyl)propyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86979645
3-amino-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide;hydrochloride
CID 119949676
2-(benzotriazol-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 8025586
3-acetamido-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide
CID 134035215
2-[[2-(benzotriazol-1-yl)acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide
CID 134051745
N-(benzotriazol-1-ylmethyl)propanamide
CID 3767707
N-[(1S)-1-(4-bromophenyl)propyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 7529253
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[1-[4-(trifluoromethyl)phenyl]propyl]acetamide
CID 121349742

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[1-(3-chlorophenyl)propyl]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[1-(3-chlorophenyl)propyl]acetamide (CID 134035226) is 2-(benzotriazol-1-yl)-N-[1-(3-chlorophenyl)propyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[1-(3-chlorophenyl)propyl]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[1-(3-chlorophenyl)propyl]acetamide is CCC(NC(=O)Cn1nnc2ccccc21)c1cccc(Cl)c1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[1-(3-chlorophenyl)propyl]acetamide?
The InChIKey is QHPTTYVDWGLQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c1-2-14(12-6-5-7-13(18)10-12)19-17(23)11-22-16-9-4-3-8-15(16)20-21-22/h3-10,14H,2,11H2,1H3,(H,19,23).
What are the key properties of 2-(benzotriazol-1-yl)-N-[1-(3-chlorophenyl)propyl]acetamide?
2-(benzotriazol-1-yl)-N-[1-(3-chlorophenyl)propyl]acetamide has a molecular weight of 328.80 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[1-(3-chlorophenyl)propyl]acetamide is sourced from PubChem (CID 134035226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).