(2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N,N-di(propan-2-yl)propanamide

C16H22ClN5O — CID 38874295

IUPAC(2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N,N-di(propan-2-yl)propanamide
SMILESCC(C)N(C(=O)[C@@H](C)n1nnc(-c2ccc(Cl)cc2)n1)C(C)C
InChIInChI=1S/C16H22ClN5O/c1-10(2)21(11(3)4)16(23)12(5)22-19-15(18-20-22)13-6-8-14(17)9-7-13/h6-12H,1-5H3/t12-/m1/s1
InChIKeyJHXPTSFJGGOJFJ-GFCCVEGCSA-N
MW335.84 g/mol
LogP3.20
Rot. Bonds5

About (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N,N-di(propan-2-yl)propanamide

(2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N,N-di(propan-2-yl)propanamide (PubChem CID 38874295) has the molecular formula C16H22ClN5O and a molecular weight of 335.84 g/mol. Its IUPAC name is (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N,N-di(propan-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N,N-di(propan-2-yl)propanamide
PubChem CID38874295
Molecular FormulaC16H22ClN5O
Molecular Weight335.84 g/mol
Exact Mass335.15
IUPAC Name(2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N,N-di(propan-2-yl)propanamide
SMILESCC(C)N(C(=O)[C@@H](C)n1nnc(-c2ccc(Cl)cc2)n1)C(C)C
InChIInChI=1S/C16H22ClN5O/c1-10(2)21(11(3)4)16(23)12(5)22-19-15(18-20-22)13-6-8-14(17)9-7-13/h6-12H,1-5H3/t12-/m1/s1
InChIKeyJHXPTSFJGGOJFJ-GFCCVEGCSA-N
XLogP3.20
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N,N-di(propan-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3,4-difluorophenyl)propanamide
CID 46583110
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N,N-dipropylbutanamide
CID 134022286
(2S)-N-methyl-N-phenyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanamide
CID 7588870
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-methylsulfanylphenyl)propanamide
CID 42986987
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 46582904
methyl 4-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]propanoylamino]methyl]benzoate
CID 51311301
(2S)-2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)propanamide
CID 9355658
(2R)-2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]propanamide
CID 94216245
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(5-chloro-2-methylphenyl)propanamide
CID 46624222
(2R)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 7489678
3-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoylamino]propanoic acid
CID 119176861
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)propanamide
CID 109399686

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N,N-di(propan-2-yl)propanamide?
The IUPAC name of (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N,N-di(propan-2-yl)propanamide (CID 38874295) is (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N,N-di(propan-2-yl)propanamide.
What is the SMILES notation for (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N,N-di(propan-2-yl)propanamide?
The canonical SMILES for (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N,N-di(propan-2-yl)propanamide is CC(C)N(C(=O)[C@@H](C)n1nnc(-c2ccc(Cl)cc2)n1)C(C)C.
What is the InChIKey of (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N,N-di(propan-2-yl)propanamide?
The InChIKey is JHXPTSFJGGOJFJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22ClN5O/c1-10(2)21(11(3)4)16(23)12(5)22-19-15(18-20-22)13-6-8-14(17)9-7-13/h6-12H,1-5H3/t12-/m1/s1.
What are the key properties of (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N,N-di(propan-2-yl)propanamide?
(2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N,N-di(propan-2-yl)propanamide has a molecular weight of 335.84 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N,N-di(propan-2-yl)propanamide is sourced from PubChem (CID 38874295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).