N-(2-chloro-4,6-dimethylphenyl)-3-(cyclopentylamino)propanamide

C16H23ClN2O — CID 109013703

IUPACN-(2-chloro-4,6-dimethylphenyl)-3-(cyclopentylamino)propanamide
SMILESCc1cc(C)c(NC(=O)CCNC2CCCC2)c(Cl)c1
InChIInChI=1S/C16H23ClN2O/c1-11-9-12(2)16(14(17)10-11)19-15(20)7-8-18-13-5-3-4-6-13/h9-10,13,18H,3-8H2,1-2H3,(H,19,20)
InChIKeyBEDLOQPETBMLNS-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.82
Rot. Bonds5

About N-(2-chloro-4,6-dimethylphenyl)-3-(cyclopentylamino)propanamide

N-(2-chloro-4,6-dimethylphenyl)-3-(cyclopentylamino)propanamide (PubChem CID 109013703) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-3-(cyclopentylamino)propanamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-3-(cyclopentylamino)propanamide
PubChem CID109013703
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-3-(cyclopentylamino)propanamide
SMILESCc1cc(C)c(NC(=O)CCNC2CCCC2)c(Cl)c1
InChIInChI=1S/C16H23ClN2O/c1-11-9-12(2)16(14(17)10-11)19-15(20)7-8-18-13-5-3-4-6-13/h9-10,13,18H,3-8H2,1-2H3,(H,19,20)
InChIKeyBEDLOQPETBMLNS-UHFFFAOYSA-N
XLogP3.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclohexylamino)-N-(2,4,6-trimethylphenyl)propanamide;hydrochloride
CID 2843030
N-(2-chloro-4,6-dimethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
CID 109016092
2-chloro-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 2110931
N-(2-chloro-4,6-dimethylphenyl)-3-[cyclobutylmethyl(methyl)amino]propanamide
CID 91834471
N-(2-chloro-4,6-dimethylphenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 8583041
N-(2-chloro-4,6-dimethylphenyl)-3-(4-methylanilino)propanamide
CID 109034461
2-(2-chloro-4,6-dimethylanilino)-N-cyclopentylacetamide
CID 108993493
2-[acetyl(cycloheptyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113166376
3,5-dichloro-4-[3-(cyclopropylamino)propanoylamino]benzoic acid
CID 82830785
N-(2-chloro-4,6-dimethylphenyl)-5-hydroxypentanamide
CID 79018968
N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl(methylsulfonyl)amino]propanamide
CID 113136366
N-(2-chloro-4,6-dimethylphenyl)-2-(methylamino)acetamide
CID 83537406

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3-(cyclopentylamino)propanamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3-(cyclopentylamino)propanamide (CID 109013703) is N-(2-chloro-4,6-dimethylphenyl)-3-(cyclopentylamino)propanamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-3-(cyclopentylamino)propanamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-3-(cyclopentylamino)propanamide is Cc1cc(C)c(NC(=O)CCNC2CCCC2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-3-(cyclopentylamino)propanamide?
The InChIKey is BEDLOQPETBMLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-11-9-12(2)16(14(17)10-11)19-15(20)7-8-18-13-5-3-4-6-13/h9-10,13,18H,3-8H2,1-2H3,(H,19,20).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-3-(cyclopentylamino)propanamide?
N-(2-chloro-4,6-dimethylphenyl)-3-(cyclopentylamino)propanamide has a molecular weight of 294.83 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-3-(cyclopentylamino)propanamide is sourced from PubChem (CID 109013703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).