N-benzyl-2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-propan-2-ylacetamide

C19H20ClN5O — CID 7490632

IUPACN-benzyl-2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)Cn1nnc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C19H20ClN5O/c1-14(2)24(12-15-7-4-3-5-8-15)18(26)13-25-22-19(21-23-25)16-9-6-10-17(20)11-16/h3-11,14H,12-13H2,1-2H3
InChIKeyWYFGFXKLDRNGMN-UHFFFAOYSA-N
MW369.86 g/mol
LogP3.43
Rot. Bonds6

About N-benzyl-2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-propan-2-ylacetamide

N-benzyl-2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-propan-2-ylacetamide (PubChem CID 7490632) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is N-benzyl-2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-propan-2-ylacetamide
PubChem CID7490632
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC NameN-benzyl-2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)Cn1nnc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C19H20ClN5O/c1-14(2)24(12-15-7-4-3-5-8-15)18(26)13-25-22-19(21-23-25)16-9-6-10-17(20)11-16/h3-11,14H,12-13H2,1-2H3
InChIKeyWYFGFXKLDRNGMN-UHFFFAOYSA-N
XLogP3.43
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7490582
2-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]prop-2-enoic acid
CID 144719815
N-[(4-chlorophenyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634179
2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 9487356
2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[3-(N-methylanilino)propyl]acetamide
CID 43033026
2-[(3-chlorophenyl)methyl]-5-phenyltetrazole
CID 7278082
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)-N-propan-2-ylacetamide
CID 137281126
2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylacetamide
CID 7490642
2-[5-(3-chlorophenyl)tetrazol-2-yl]-1-(2,4-dimethylphenyl)ethanone
CID 7490677
(2S)-2-[benzyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-(3-methylbutyl)propanamide
CID 40586564
ethyl N-[2-[5-(3-chlorophenyl)tetrazol-2-yl]acetyl]carbamate
CID 7490658
2-[5-[3-[2-(carboxymethyl)tetrazol-5-yl]phenyl]tetrazol-2-yl]acetic acid
CID 132537677

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-propan-2-ylacetamide?
The IUPAC name of N-benzyl-2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-propan-2-ylacetamide (CID 7490632) is N-benzyl-2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-benzyl-2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-propan-2-ylacetamide?
The canonical SMILES for N-benzyl-2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-propan-2-ylacetamide is CC(C)N(Cc1ccccc1)C(=O)Cn1nnc(-c2cccc(Cl)c2)n1.
What is the InChIKey of N-benzyl-2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-propan-2-ylacetamide?
The InChIKey is WYFGFXKLDRNGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O/c1-14(2)24(12-15-7-4-3-5-8-15)18(26)13-25-22-19(21-23-25)16-9-6-10-17(20)11-16/h3-11,14H,12-13H2,1-2H3.
What are the key properties of N-benzyl-2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-propan-2-ylacetamide?
N-benzyl-2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-propan-2-ylacetamide has a molecular weight of 369.86 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 7490632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).