2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide

C14H18ClN5O — CID 7490582

IUPAC2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
SMILESCC(C)[C@@H](C)NC(=O)Cn1nnc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C14H18ClN5O/c1-9(2)10(3)16-13(21)8-20-18-14(17-19-20)11-5-4-6-12(15)7-11/h4-7,9-10H,8H2,1-3H3,(H,16,21)/t10-/m1/s1
InChIKeyXOAJDUCUOSNGIV-SNVBAGLBSA-N
MW307.79 g/mol
LogP2.15
Rot. Bonds5

About 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide

2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide (PubChem CID 7490582) has the molecular formula C14H18ClN5O and a molecular weight of 307.79 g/mol. Its IUPAC name is 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
PubChem CID7490582
Molecular FormulaC14H18ClN5O
Molecular Weight307.79 g/mol
Exact Mass307.12
IUPAC Name2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
SMILESCC(C)[C@@H](C)NC(=O)Cn1nnc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C14H18ClN5O/c1-9(2)10(3)16-13(21)8-20-18-14(17-19-20)11-5-4-6-12(15)7-11/h4-7,9-10H,8H2,1-3H3,(H,16,21)/t10-/m1/s1
InChIKeyXOAJDUCUOSNGIV-SNVBAGLBSA-N
XLogP2.15
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 52.15
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
2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 7490784
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 7589128
ethyl N-[2-[5-(3-chlorophenyl)tetrazol-2-yl]acetyl]carbamate
CID 7490658
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7713103
2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[3-(N-methylanilino)propyl]acetamide
CID 43033026
2-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]prop-2-enoic acid
CID 144719815
N-benzyl-2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-propan-2-ylacetamide
CID 7490632
2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-(1-cyanocyclopentyl)acetamide
CID 7490896
3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid
CID 119221158
2-[5-(3-chlorophenyl)tetrazol-2-yl]-1-(2,4-dimethylphenyl)ethanone
CID 7490677
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-heptan-2-ylacetamide
CID 46608299

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide?
The IUPAC name of 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide (CID 7490582) is 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide.
What is the SMILES notation for 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide?
The canonical SMILES for 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide is CC(C)[C@@H](C)NC(=O)Cn1nnc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide?
The InChIKey is XOAJDUCUOSNGIV-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18ClN5O/c1-9(2)10(3)16-13(21)8-20-18-14(17-19-20)11-5-4-6-12(15)7-11/h4-7,9-10H,8H2,1-3H3,(H,16,21)/t10-/m1/s1.
What are the key properties of 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide?
2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide has a molecular weight of 307.79 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide is sourced from PubChem (CID 7490582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).