4-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbutanamide

C12H16Cl2N2O — CID 104727116

IUPAC4-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbutanamide
SMILESCc1cc(Cl)c(NC(=O)C(C)CCN)cc1Cl
InChIInChI=1S/C12H16Cl2N2O/c1-7(3-4-15)12(17)16-11-6-9(13)8(2)5-10(11)14/h5-7H,3-4,15H2,1-2H3,(H,16,17)
InChIKeyUORNHFFCYHLUDQ-UHFFFAOYSA-N
MW275.18 g/mol
LogP3.23
Rot. Bonds4

About 4-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbutanamide

4-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbutanamide (PubChem CID 104727116) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is 4-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbutanamide
PubChem CID104727116
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name4-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbutanamide
SMILESCc1cc(Cl)c(NC(=O)C(C)CCN)cc1Cl
InChIInChI=1S/C12H16Cl2N2O/c1-7(3-4-15)12(17)16-11-6-9(13)8(2)5-10(11)14/h5-7H,3-4,15H2,1-2H3,(H,16,17)
InChIKeyUORNHFFCYHLUDQ-UHFFFAOYSA-N
XLogP3.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-amino-N-(4-chloro-3-methylphenyl)-2-methylbutanamide
CID 170264446
4-amino-N-(6-chloro-1,3-benzodioxol-5-yl)-2-methylbutanamide
CID 80543534
4-(2-aminoethyl)-N-(2,5-dichloro-4-methylphenyl)-5-methylhexanamide
CID 104727149
4-amino-N-(2-chloro-4-fluorophenyl)-2-methylbutanamide
CID 80542109
(2S)-2-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbutanamide
CID 104727039
5-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylpentanamide
CID 104683435
4-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylbutanamide
CID 80542425
4-amino-N-(2-hydroxy-3,5-dimethylphenyl)-2-methylbutanamide
CID 80544363
3-amino-N-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpropanamide
CID 115153476
4-amino-N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-2-methylbutanamide
CID 80543293
2-methyl-N-(2,4,5-trichlorophenyl)butanamide
CID 2841118
(2S)-2-methyl-N-(2,4,5-trichlorophenyl)butanamide
CID 794436

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbutanamide?
The IUPAC name of 4-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbutanamide (CID 104727116) is 4-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbutanamide.
What is the SMILES notation for 4-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbutanamide?
The canonical SMILES for 4-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbutanamide is Cc1cc(Cl)c(NC(=O)C(C)CCN)cc1Cl.
What is the InChIKey of 4-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbutanamide?
The InChIKey is UORNHFFCYHLUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-7(3-4-15)12(17)16-11-6-9(13)8(2)5-10(11)14/h5-7H,3-4,15H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbutanamide?
4-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbutanamide has a molecular weight of 275.18 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbutanamide is sourced from PubChem (CID 104727116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).