N-[1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]propanamide

C18H24ClN5O — CID 30313026

IUPACN-[1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]propanamide
SMILESCCC(=O)NC1(c2nnnn2-c2cccc(Cl)c2C)CCC(C)CC1
InChIInChI=1S/C18H24ClN5O/c1-4-16(25)20-18(10-8-12(2)9-11-18)17-21-22-23-24(17)15-7-5-6-14(19)13(15)3/h5-7,12H,4,8-11H2,1-3H3,(H,20,25)
InChIKeyPLFDPKRPXWXGTK-UHFFFAOYSA-N
MW361.88 g/mol
LogP3.56
Rot. Bonds4

About N-[1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]propanamide

N-[1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]propanamide (PubChem CID 30313026) has the molecular formula C18H24ClN5O and a molecular weight of 361.88 g/mol. Its IUPAC name is N-[1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]propanamide.

Molecular Properties

Compound NameN-[1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]propanamide
PubChem CID30313026
Molecular FormulaC18H24ClN5O
Molecular Weight361.88 g/mol
Exact Mass361.17
IUPAC NameN-[1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]propanamide
SMILESCCC(=O)NC1(c2nnnn2-c2cccc(Cl)c2C)CCC(C)CC1
InChIInChI=1S/C18H24ClN5O/c1-4-16(25)20-18(10-8-12(2)9-11-18)17-21-22-23-24(17)15-7-5-6-14(19)13(15)3/h5-7,12H,4,8-11H2,1-3H3,(H,20,25)
InChIKeyPLFDPKRPXWXGTK-UHFFFAOYSA-N
XLogP3.56
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.88
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]propanamide
CID 30313030
N-[1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]cyclohexyl]-N-methylacetamide
CID 30310869
N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-2,2,2-trifluoroacetamide
CID 56694248
methyl 2-[5-[1-[(2-ethoxy-2-oxoethyl)amino]-4-methylcyclohexyl]tetrazol-1-yl]benzoate
CID 30312689
1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-ethyl-4-methylcyclohexan-1-amine
CID 30314444
2-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide
CID 30310249
ethyl 4-[5-[4-methyl-1-(methylamino)cyclohexyl]tetrazol-1-yl]benzoate
CID 30312929
N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]benzamide
CID 30312897
ethyl 2-[[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]amino]acetate
CID 30312714
phenyl N-[1-[1-(2,3-dimethylphenyl)tetrazol-5-yl]cyclohexyl]carbamate
CID 30310810
1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]-4-methyl-N-propylcyclohexan-1-amine
CID 30314136
ethyl 3-[5-[4-methyl-1-(4-methylanilino)cyclohexyl]tetrazol-1-yl]benzoate
CID 30312319

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]propanamide?
The IUPAC name of N-[1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]propanamide (CID 30313026) is N-[1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]propanamide.
What is the SMILES notation for N-[1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]propanamide?
The canonical SMILES for N-[1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]propanamide is CCC(=O)NC1(c2nnnn2-c2cccc(Cl)c2C)CCC(C)CC1.
What is the InChIKey of N-[1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]propanamide?
The InChIKey is PLFDPKRPXWXGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O/c1-4-16(25)20-18(10-8-12(2)9-11-18)17-21-22-23-24(17)15-7-5-6-14(19)13(15)3/h5-7,12H,4,8-11H2,1-3H3,(H,20,25).
What are the key properties of N-[1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]propanamide?
N-[1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]propanamide has a molecular weight of 361.88 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]propanamide is sourced from PubChem (CID 30313026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).