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

C13H19ClN2O — CID 60663281

IUPACN-(3-chloro-2-methylphenyl)-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C13H19ClN2O/c1-4-15-9(2)8-13(17)16-12-7-5-6-11(14)10(12)3/h5-7,9,15H,4,8H2,1-3H3,(H,16,17)
InChIKeyPLEJUYMMXZFAOX-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.98
Rot. Bonds5

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

N-(3-chloro-2-methylphenyl)-3-(ethylamino)butanamide (PubChem CID 60663281) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-(ethylamino)butanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-(ethylamino)butanamide
PubChem CID60663281
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-(3-chloro-2-methylphenyl)-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C13H19ClN2O/c1-4-15-9(2)8-13(17)16-12-7-5-6-11(14)10(12)3/h5-7,9,15H,4,8H2,1-3H3,(H,16,17)
InChIKeyPLEJUYMMXZFAOX-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

methyl 3-[3-(ethylamino)butanoylamino]-2-methylbenzoate
CID 62838643
N-(3-chloro-2-methylphenyl)-3-methoxybutanamide
CID 47091350
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
(2S)-4-(3-chloro-2-methylanilino)-2-[[(2S)-2-hydroxypropyl]amino]-4-oxobutanoic acid
CID 7591713
N-(4-chloro-2-methylphenyl)-3-(ethylamino)butanamide
CID 62837174
2-bromo-N-(3-chloro-2-methylphenyl)acetamide
CID 3414721
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
N-[4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]phenyl]-3-methylbutanamide
CID 54831753
(3S)-N-(3-chloro-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 92693215
N-(3-chloro-2-methylphenyl)-N'-(2,6-dichlorophenyl)propanediamide
CID 108955128
N,N'-bis(3-chloro-2-methylphenyl)decanediamide
CID 17080098
N-(2,1,3-benzoselenadiazol-4-yl)-3-(ethylamino)butanamide
CID 62839530

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-(ethylamino)butanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-(ethylamino)butanamide (CID 60663281) is N-(3-chloro-2-methylphenyl)-3-(ethylamino)butanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-(ethylamino)butanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-(ethylamino)butanamide is CCNC(C)CC(=O)Nc1cccc(Cl)c1C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-(ethylamino)butanamide?
The InChIKey is PLEJUYMMXZFAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-4-15-9(2)8-13(17)16-12-7-5-6-11(14)10(12)3/h5-7,9,15H,4,8H2,1-3H3,(H,16,17).
What are the key properties of N-(3-chloro-2-methylphenyl)-3-(ethylamino)butanamide?
N-(3-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-(3-chloro-2-methylphenyl)-3-(ethylamino)butanamide is sourced from PubChem (CID 60663281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).