N-[2-(4-chlorophenyl)-1-phenylethyl]-2-(tetrazol-1-yl)acetamide

C17H16ClN5O — CID 60548183

IUPACN-[2-(4-chlorophenyl)-1-phenylethyl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)NC(Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C17H16ClN5O/c18-15-8-6-13(7-9-15)10-16(14-4-2-1-3-5-14)20-17(24)11-23-12-19-21-22-23/h1-9,12,16H,10-11H2,(H,20,24)
InChIKeyVCTSHAMUMHBLSE-UHFFFAOYSA-N
MW341.80 g/mol
LogP2.43
Rot. Bonds6

About N-[2-(4-chlorophenyl)-1-phenylethyl]-2-(tetrazol-1-yl)acetamide

N-[2-(4-chlorophenyl)-1-phenylethyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 60548183) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-1-phenylethyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-1-phenylethyl]-2-(tetrazol-1-yl)acetamide
PubChem CID60548183
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC NameN-[2-(4-chlorophenyl)-1-phenylethyl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)NC(Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C17H16ClN5O/c18-15-8-6-13(7-9-15)10-16(14-4-2-1-3-5-14)20-17(24)11-23-12-19-21-22-23/h1-9,12,16H,10-11H2,(H,20,24)
InChIKeyVCTSHAMUMHBLSE-UHFFFAOYSA-N
XLogP2.43
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1,2-diphenylethyl]-2-(tetrazol-1-yl)acetamide
CID 9117476
N-[2-(4-chlorophenyl)-1-phenylethyl]-3-methylbutanamide
CID 60548268
2-(tetrazol-1-yl)-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]acetamide
CID 95639107
4-amino-N-[2-(4-chlorophenyl)-1-phenylethyl]butanamide
CID 119300535
2-methyl-3-phenyl-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid
CID 119218600
ethyl (2S)-3-phenyl-2-[[2-(tetrazol-1-yl)acetyl]amino]propanoate
CID 94660700
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(1S)-1,2-diphenylethyl]acetamide
CID 8607690
(2R)-N-cyclopropyl-3-phenyl-2-[[2-(tetrazol-1-yl)acetyl]amino]propanamide
CID 95275372
2-phenyl-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid
CID 62883661
methyl (3S)-3-(2-chlorophenyl)-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoate
CID 94016801
N-[2-(4-chlorophenyl)-1-phenylethyl]-2-(4-sulfamoylphenyl)acetamide
CID 56552713
N-[2-(4-chlorophenyl)-1-phenylethyl]-2-(2-methoxyethoxy)acetamide
CID 60548393

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-1-phenylethyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)-1-phenylethyl]-2-(tetrazol-1-yl)acetamide (CID 60548183) is N-[2-(4-chlorophenyl)-1-phenylethyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-1-phenylethyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-1-phenylethyl]-2-(tetrazol-1-yl)acetamide is O=C(Cn1cnnn1)NC(Cc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-1-phenylethyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is VCTSHAMUMHBLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O/c18-15-8-6-13(7-9-15)10-16(14-4-2-1-3-5-14)20-17(24)11-23-12-19-21-22-23/h1-9,12,16H,10-11H2,(H,20,24).
What are the key properties of N-[2-(4-chlorophenyl)-1-phenylethyl]-2-(tetrazol-1-yl)acetamide?
N-[2-(4-chlorophenyl)-1-phenylethyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 341.80 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-1-phenylethyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 60548183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).