4-amino-N-(3,5-dichlorophenyl)-3-methylbutanamide

C11H14Cl2N2O — CID 81070502

IUPAC4-amino-N-(3,5-dichlorophenyl)-3-methylbutanamide
SMILESCC(CN)CC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H14Cl2N2O/c1-7(6-14)2-11(16)15-10-4-8(12)3-9(13)5-10/h3-5,7H,2,6,14H2,1H3,(H,15,16)
InChIKeyCQJJCOAFGXUNNC-UHFFFAOYSA-N
MW261.15 g/mol
LogP2.92
Rot. Bonds4

About 4-amino-N-(3,5-dichlorophenyl)-3-methylbutanamide

4-amino-N-(3,5-dichlorophenyl)-3-methylbutanamide (PubChem CID 81070502) has the molecular formula C11H14Cl2N2O and a molecular weight of 261.15 g/mol. Its IUPAC name is 4-amino-N-(3,5-dichlorophenyl)-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-(3,5-dichlorophenyl)-3-methylbutanamide
PubChem CID81070502
Molecular FormulaC11H14Cl2N2O
Molecular Weight261.15 g/mol
Exact Mass260.05
IUPAC Name4-amino-N-(3,5-dichlorophenyl)-3-methylbutanamide
SMILESCC(CN)CC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H14Cl2N2O/c1-7(6-14)2-11(16)15-10-4-8(12)3-9(13)5-10/h3-5,7H,2,6,14H2,1H3,(H,15,16)
InChIKeyCQJJCOAFGXUNNC-UHFFFAOYSA-N
XLogP2.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3-methyl-N-[4-(3-methylbutanoylamino)phenyl]butanamide
CID 81084171
N-(3,5-dichlorophenyl)-3-(ethylamino)butanamide
CID 62839661
2-amino-4-(3,5-dichloroanilino)-4-oxobutanoic acid
CID 91337072
4-amino-N-[3-chloro-4-(dimethylamino)phenyl]-3-methylbutanamide
CID 81076197
4-amino-3-methyl-N-[3-(propanoylamino)phenyl]butanamide
CID 81087317
4-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 81070111
5-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 116699763
4-amino-N-(4-ethylphenyl)-3-methylbutanamide
CID 81071859
4-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]-3-methylbutanamide
CID 81076100
4-amino-3-methyl-N-(1H-pyrrol-3-yl)butanamide
CID 115156226
3-[(4-amino-3-methylbutanoyl)amino]benzoic acid
CID 81087394
4-amino-3-methyl-N-(2-methyl-4-pyridinyl)butanamide
CID 81079755

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,5-dichlorophenyl)-3-methylbutanamide?
The IUPAC name of 4-amino-N-(3,5-dichlorophenyl)-3-methylbutanamide (CID 81070502) is 4-amino-N-(3,5-dichlorophenyl)-3-methylbutanamide.
What is the SMILES notation for 4-amino-N-(3,5-dichlorophenyl)-3-methylbutanamide?
The canonical SMILES for 4-amino-N-(3,5-dichlorophenyl)-3-methylbutanamide is CC(CN)CC(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 4-amino-N-(3,5-dichlorophenyl)-3-methylbutanamide?
The InChIKey is CQJJCOAFGXUNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O/c1-7(6-14)2-11(16)15-10-4-8(12)3-9(13)5-10/h3-5,7H,2,6,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-N-(3,5-dichlorophenyl)-3-methylbutanamide?
4-amino-N-(3,5-dichlorophenyl)-3-methylbutanamide has a molecular weight of 261.15 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,5-dichlorophenyl)-3-methylbutanamide is sourced from PubChem (CID 81070502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).