3-amino-N-(3,5-dichloro-4-fluorophenyl)-2,2-dimethylpropanamide

C11H13Cl2FN2O — CID 107574504

IUPAC3-amino-N-(3,5-dichloro-4-fluorophenyl)-2,2-dimethylpropanamide
SMILESCC(C)(CN)C(=O)Nc1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C11H13Cl2FN2O/c1-11(2,5-15)10(17)16-6-3-7(12)9(14)8(13)4-6/h3-4H,5,15H2,1-2H3,(H,16,17)
InChIKeyMPBVKZNBURAJGN-UHFFFAOYSA-N
MW279.14 g/mol
LogP3.06
Rot. Bonds3

About 3-amino-N-(3,5-dichloro-4-fluorophenyl)-2,2-dimethylpropanamide

3-amino-N-(3,5-dichloro-4-fluorophenyl)-2,2-dimethylpropanamide (PubChem CID 107574504) has the molecular formula C11H13Cl2FN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is 3-amino-N-(3,5-dichloro-4-fluorophenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-(3,5-dichloro-4-fluorophenyl)-2,2-dimethylpropanamide
PubChem CID107574504
Molecular FormulaC11H13Cl2FN2O
Molecular Weight279.14 g/mol
Exact Mass278.04
IUPAC Name3-amino-N-(3,5-dichloro-4-fluorophenyl)-2,2-dimethylpropanamide
SMILESCC(C)(CN)C(=O)Nc1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C11H13Cl2FN2O/c1-11(2,5-15)10(17)16-6-3-7(12)9(14)8(13)4-6/h3-4H,5,15H2,1-2H3,(H,16,17)
InChIKeyMPBVKZNBURAJGN-UHFFFAOYSA-N
XLogP3.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-[(3-amino-2,2-dimethylpropanoyl)amino]benzene-1,3-dicarboxylic acid
CID 115426556
3-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide;hydrochloride
CID 119675447
3-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-dimethylpropanamide;hydrochloride
CID 119676740
3-amino-N-(3-chloro-4-ethoxyphenyl)-2,2-dimethylpropanamide
CID 81489227
3-(3,5-dichloro-4-fluoroanilino)-2,2-dimethylpropanoic acid
CID 107573955
3-amino-N-(3-chloro-4-propoxyphenyl)-2,2-dimethylpropanamide
CID 81489388
2-(aminomethyl)-N-(3,5-dichloro-4-fluorophenyl)butanamide
CID 107574395
3-[(3,5-dichloro-4-fluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 107576482
2-(3,5-dichloro-4-fluoroanilino)acetamide
CID 107573760
methyl N-[4-[(3-amino-2,2-dimethylpropanoyl)amino]phenyl]carbamate
CID 81490095
3-[(3,5-dichloro-4-fluorophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 107576403
3-amino-N-(3-bromo-5-methoxyphenyl)-2,2-dimethylpropanamide
CID 82867396

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,5-dichloro-4-fluorophenyl)-2,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-(3,5-dichloro-4-fluorophenyl)-2,2-dimethylpropanamide (CID 107574504) is 3-amino-N-(3,5-dichloro-4-fluorophenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-(3,5-dichloro-4-fluorophenyl)-2,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-(3,5-dichloro-4-fluorophenyl)-2,2-dimethylpropanamide is CC(C)(CN)C(=O)Nc1cc(Cl)c(F)c(Cl)c1.
What is the InChIKey of 3-amino-N-(3,5-dichloro-4-fluorophenyl)-2,2-dimethylpropanamide?
The InChIKey is MPBVKZNBURAJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2FN2O/c1-11(2,5-15)10(17)16-6-3-7(12)9(14)8(13)4-6/h3-4H,5,15H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-N-(3,5-dichloro-4-fluorophenyl)-2,2-dimethylpropanamide?
3-amino-N-(3,5-dichloro-4-fluorophenyl)-2,2-dimethylpropanamide has a molecular weight of 279.14 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,5-dichloro-4-fluorophenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 107574504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).