N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide

C18H18ClN5O — CID 7713103

IUPACN-[(1S)-1-(3-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)N[C@@H](C)c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C18H18ClN5O/c1-12-6-8-14(9-7-12)18-21-23-24(22-18)11-17(25)20-13(2)15-4-3-5-16(19)10-15/h3-10,13H,11H2,1-2H3,(H,20,25)/t13-/m0/s1
InChIKeyJWUFPOUDXAASQL-ZDUSSCGKSA-N
MW355.83 g/mol
LogP3.18
Rot. Bonds5

About N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide

N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide (PubChem CID 7713103) has the molecular formula C18H18ClN5O and a molecular weight of 355.83 g/mol. Its IUPAC name is N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
PubChem CID7713103
Molecular FormulaC18H18ClN5O
Molecular Weight355.83 g/mol
Exact Mass355.12
IUPAC NameN-[(1S)-1-(3-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)N[C@@H](C)c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C18H18ClN5O/c1-12-6-8-14(9-7-12)18-21-23-24(22-18)11-17(25)20-13(2)15-4-3-5-16(19)10-15/h3-10,13H,11H2,1-2H3,(H,20,25)/t13-/m0/s1
InChIKeyJWUFPOUDXAASQL-ZDUSSCGKSA-N
XLogP3.18
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 7490847
N-[(1R)-1-phenylethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7589016
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 78866090
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 16517224
2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7490582
[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate
CID 8543451
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 1454654
2-[5-[4-(4-methoxyphenyl)phenyl]tetrazol-2-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 1465884
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7490280
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 8642989
N-[(1R)-1-(4-methylphenyl)propyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7465586
N-[(1S)-1-(4-methylphenyl)propyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7465585

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide (CID 7713103) is N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide is Cc1ccc(-c2nnn(CC(=O)N[C@@H](C)c3cccc(Cl)c3)n2)cc1.
What is the InChIKey of N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is JWUFPOUDXAASQL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18ClN5O/c1-12-6-8-14(9-7-12)18-21-23-24(22-18)11-17(25)20-13(2)15-4-3-5-16(19)10-15/h3-10,13H,11H2,1-2H3,(H,20,25)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 355.83 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 7713103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).