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

C13H19ClN2O — CID 60663237

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

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

N-(3-chloro-4-methylphenyl)-3-(ethylamino)butanamide (PubChem CID 60663237) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-(ethylamino)butanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3-(ethylamino)butanamide
PubChem CID60663237
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-(3-chloro-4-methylphenyl)-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-4-15-10(3)7-13(17)16-11-6-5-9(2)12(14)8-11/h5-6,8,10,15H,4,7H2,1-3H3,(H,16,17)
InChIKeyKKPRTXXOESOYGV-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-(3-chloro-4-methylphenyl)-3-[(3-hydroxy-2-methylpropyl)amino]butanamide
CID 110905995
N-(4-bromo-3-methylphenyl)-3-(ethylamino)butanamide
CID 62838768
(2S)-2-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 83194812
2-[[4-(3-chloro-4-methylanilino)-4-oxobutan-2-yl]amino]pentanoic acid
CID 122039857
N-(3,5-dichlorophenyl)-3-(ethylamino)butanamide
CID 62839661
N-(4-chloro-2-methylphenyl)-3-(ethylamino)butanamide
CID 62837174
3-(ethylamino)-N-quinoxalin-6-ylbutanamide
CID 62839375
N-(3-bromophenyl)-3-(ethylamino)butanamide
CID 62838058
N-(3-chloro-4-methylphenyl)-2-(4-propan-2-ylanilino)acetamide
CID 109007872
4-amino-N-(3-chloro-4-methylphenyl)pentanamide;hydrochloride
CID 120558654
N,N'-bis(3-chloro-4-methylphenyl)decanediamide
CID 23010647
5-(3-chloro-4-methylanilino)-5-oxo-3-phenylpentanoic acid
CID 2826171

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-(ethylamino)butanamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-(ethylamino)butanamide (CID 60663237) is N-(3-chloro-4-methylphenyl)-3-(ethylamino)butanamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-(ethylamino)butanamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-(ethylamino)butanamide is CCNC(C)CC(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-(ethylamino)butanamide?
The InChIKey is KKPRTXXOESOYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-4-15-10(3)7-13(17)16-11-6-5-9(2)12(14)8-11/h5-6,8,10,15H,4,7H2,1-3H3,(H,16,17).
What are the key properties of N-(3-chloro-4-methylphenyl)-3-(ethylamino)butanamide?
N-(3-chloro-4-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-(3-chloro-4-methylphenyl)-3-(ethylamino)butanamide is sourced from PubChem (CID 60663237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).