N-(4-chloro-2-methylphenyl)-3-(ethylamino)butanamide

C13H19ClN2O — CID 62837174

IUPACN-(4-chloro-2-methylphenyl)-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C13H19ClN2O/c1-4-15-10(3)8-13(17)16-12-6-5-11(14)7-9(12)2/h5-7,10,15H,4,8H2,1-3H3,(H,16,17)
InChIKeyMBJAUDWVBOMJFE-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.98
Rot. Bonds5

About N-(4-chloro-2-methylphenyl)-3-(ethylamino)butanamide

N-(4-chloro-2-methylphenyl)-3-(ethylamino)butanamide (PubChem CID 62837174) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-3-(ethylamino)butanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-3-(ethylamino)butanamide
PubChem CID62837174
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-(4-chloro-2-methylphenyl)-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C13H19ClN2O/c1-4-15-10(3)8-13(17)16-12-6-5-11(14)7-9(12)2/h5-7,10,15H,4,8H2,1-3H3,(H,16,17)
InChIKeyMBJAUDWVBOMJFE-UHFFFAOYSA-N
XLogP2.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-cyanophenyl)-3-(ethylamino)butanamide
CID 55123280
N'-butan-2-yl-N-(4-chloro-2-methylphenyl)propanediamide
CID 108941850
N-(3-chloro-4-methylphenyl)-3-(ethylamino)butanamide
CID 60663237
N-(4-chloro-2-methylphenyl)-N'-propan-2-ylpropanediamide
CID 108940886
N-(4,5-dimethoxy-2-methylphenyl)-3-(ethylamino)butanamide
CID 62839712
N-(3-chloro-2-methylphenyl)-3-(ethylamino)butanamide
CID 60663281
N-(3,5-dichlorophenyl)-3-(ethylamino)butanamide
CID 62839661
4-amino-N-(4-chloro-2-methylphenyl)-3-methoxybutanamide
CID 103154240
N-[2-chloro-4-(trifluoromethyl)phenyl]-3-(ethylamino)butanamide
CID 62838644
N-(4-bromo-3-methylphenyl)-3-(ethylamino)butanamide
CID 62838768
ethyl 4-(4-chloro-2-methylanilino)-4-oxobutanoate
CID 60660611
N-(4-chloro-2-methylphenyl)-N'-(2,4-dichlorophenyl)propanediamide
CID 108955225

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-3-(ethylamino)butanamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-3-(ethylamino)butanamide (CID 62837174) is N-(4-chloro-2-methylphenyl)-3-(ethylamino)butanamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-3-(ethylamino)butanamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-3-(ethylamino)butanamide is CCNC(C)CC(=O)Nc1ccc(Cl)cc1C.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-3-(ethylamino)butanamide?
The InChIKey is MBJAUDWVBOMJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-4-15-10(3)8-13(17)16-12-6-5-11(14)7-9(12)2/h5-7,10,15H,4,8H2,1-3H3,(H,16,17).
What are the key properties of N-(4-chloro-2-methylphenyl)-3-(ethylamino)butanamide?
N-(4-chloro-2-methylphenyl)-3-(ethylamino)butanamide has a molecular weight of 254.76 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-3-(ethylamino)butanamide is sourced from PubChem (CID 62837174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).