3-(4-bromo-2-chloroanilino)-N,N-dimethylpropanamide

C11H14BrClN2O — CID 60960402

IUPAC3-(4-bromo-2-chloroanilino)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1ccc(Br)cc1Cl
InChIInChI=1S/C11H14BrClN2O/c1-15(2)11(16)5-6-14-10-4-3-8(12)7-9(10)13/h3-4,7,14H,5-6H2,1-2H3
InChIKeyJNDCMGGGIVPYAK-UHFFFAOYSA-N
MW305.60 g/mol
LogP2.99
Rot. Bonds4

About 3-(4-bromo-2-chloroanilino)-N,N-dimethylpropanamide

3-(4-bromo-2-chloroanilino)-N,N-dimethylpropanamide (PubChem CID 60960402) has the molecular formula C11H14BrClN2O and a molecular weight of 305.60 g/mol. Its IUPAC name is 3-(4-bromo-2-chloroanilino)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(4-bromo-2-chloroanilino)-N,N-dimethylpropanamide
PubChem CID60960402
Molecular FormulaC11H14BrClN2O
Molecular Weight305.60 g/mol
Exact Mass304.00
IUPAC Name3-(4-bromo-2-chloroanilino)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNc1ccc(Br)cc1Cl
InChIInChI=1S/C11H14BrClN2O/c1-15(2)11(16)5-6-14-10-4-3-8(12)7-9(10)13/h3-4,7,14H,5-6H2,1-2H3
InChIKeyJNDCMGGGIVPYAK-UHFFFAOYSA-N
XLogP2.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.60
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dibromoanilino)-N,N-dimethylpropanamide
CID 61473010
3-(4-bromo-2-fluoroanilino)-N,N-dimethylpropanamide
CID 60961729
3-(5-bromo-2-methylanilino)-N,N-dimethylpropanamide
CID 60961459
3-(4-bromo-2-chloroanilino)propanamide
CID 43347354
3-(4-chloro-2-fluoroanilino)-N,N-dimethylpropanamide
CID 61469601
2-(4-bromo-2-chloroanilino)ethanol
CID 43168185
3-(4-bromo-2-chloroanilino)-N-cyclopropylpropanamide
CID 62627923
2-(4-bromo-2-chloroanilino)-N-cyclopropyl-N-methylacetamide
CID 54957038
3-(4-amino-2-iodoanilino)-N,N-dimethylpropanamide
CID 66092727
4-(4-bromo-2,3-dichloroanilino)-N,N-dimethylbutanamide
CID 114001735
3-(2,4-dichloroanilino)-N-methyl-N-phenylpropanamide
CID 109034616
2-[(4-bromo-2-chlorophenyl)sulfonylamino]-N,N-dimethylacetamide
CID 40753294

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-chloroanilino)-N,N-dimethylpropanamide?
The IUPAC name of 3-(4-bromo-2-chloroanilino)-N,N-dimethylpropanamide (CID 60960402) is 3-(4-bromo-2-chloroanilino)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(4-bromo-2-chloroanilino)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(4-bromo-2-chloroanilino)-N,N-dimethylpropanamide is CN(C)C(=O)CCNc1ccc(Br)cc1Cl.
What is the InChIKey of 3-(4-bromo-2-chloroanilino)-N,N-dimethylpropanamide?
The InChIKey is JNDCMGGGIVPYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O/c1-15(2)11(16)5-6-14-10-4-3-8(12)7-9(10)13/h3-4,7,14H,5-6H2,1-2H3.
What are the key properties of 3-(4-bromo-2-chloroanilino)-N,N-dimethylpropanamide?
3-(4-bromo-2-chloroanilino)-N,N-dimethylpropanamide has a molecular weight of 305.60 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-chloroanilino)-N,N-dimethylpropanamide is sourced from PubChem (CID 60960402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).