2-(2-bromo-5-chloroanilino)-N-cyclopropylpropanamide

C12H14BrClN2O — CID 81280708

IUPAC2-(2-bromo-5-chloroanilino)-N-cyclopropylpropanamide
SMILESCC(Nc1cc(Cl)ccc1Br)C(=O)NC1CC1
InChIInChI=1S/C12H14BrClN2O/c1-7(12(17)16-9-3-4-9)15-11-6-8(14)2-5-10(11)13/h2,5-7,9,15H,3-4H2,1H3,(H,16,17)
InChIKeyHAOZQNOXSRHDOX-UHFFFAOYSA-N
MW317.61 g/mol
LogP3.18
Rot. Bonds4

About 2-(2-bromo-5-chloroanilino)-N-cyclopropylpropanamide

2-(2-bromo-5-chloroanilino)-N-cyclopropylpropanamide (PubChem CID 81280708) has the molecular formula C12H14BrClN2O and a molecular weight of 317.61 g/mol. Its IUPAC name is 2-(2-bromo-5-chloroanilino)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-(2-bromo-5-chloroanilino)-N-cyclopropylpropanamide
PubChem CID81280708
Molecular FormulaC12H14BrClN2O
Molecular Weight317.61 g/mol
Exact Mass316.00
IUPAC Name2-(2-bromo-5-chloroanilino)-N-cyclopropylpropanamide
SMILESCC(Nc1cc(Cl)ccc1Br)C(=O)NC1CC1
InChIInChI=1S/C12H14BrClN2O/c1-7(12(17)16-9-3-4-9)15-11-6-8(14)2-5-10(11)13/h2,5-7,9,15H,3-4H2,1H3,(H,16,17)
InChIKeyHAOZQNOXSRHDOX-UHFFFAOYSA-N
XLogP3.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.61
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2-(2,5-dichloroanilino)propanamide
CID 43083853
N-cyclopropyl-2-(2,4-dichloroanilino)propanamide
CID 43085964
2-(2-bromo-5-chloroanilino)propanamide
CID 81281042
2-(2-bromo-5-chloroanilino)-N-phenylpropanamide
CID 81281522
2-(5-chloro-2-methoxyanilino)-N-cyclohexylpropanamide
CID 43083885
2-(4-bromo-2-fluoroanilino)-N-cyclopropylpropanamide
CID 43088710
N-cyclopropyl-2-(2,5-difluoroanilino)propanamide
CID 43083939
2-(2-chloro-4-methylanilino)-N-cyclopropylpropanamide
CID 43083917
2-(2-amino-4-bromoanilino)-N-cyclopropylpropanamide
CID 113406572
N-cyclopropyl-2-(2,4,6-tribromoanilino)propanamide
CID 43126368
3-(2-bromo-5-chloroanilino)-N-cyclopropylpropanamide
CID 81281134
N-(2-bromo-5-chlorophenyl)-2-methylbutanamide
CID 81271698

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-chloroanilino)-N-cyclopropylpropanamide?
The IUPAC name of 2-(2-bromo-5-chloroanilino)-N-cyclopropylpropanamide (CID 81280708) is 2-(2-bromo-5-chloroanilino)-N-cyclopropylpropanamide.
What is the SMILES notation for 2-(2-bromo-5-chloroanilino)-N-cyclopropylpropanamide?
The canonical SMILES for 2-(2-bromo-5-chloroanilino)-N-cyclopropylpropanamide is CC(Nc1cc(Cl)ccc1Br)C(=O)NC1CC1.
What is the InChIKey of 2-(2-bromo-5-chloroanilino)-N-cyclopropylpropanamide?
The InChIKey is HAOZQNOXSRHDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2O/c1-7(12(17)16-9-3-4-9)15-11-6-8(14)2-5-10(11)13/h2,5-7,9,15H,3-4H2,1H3,(H,16,17).
What are the key properties of 2-(2-bromo-5-chloroanilino)-N-cyclopropylpropanamide?
2-(2-bromo-5-chloroanilino)-N-cyclopropylpropanamide has a molecular weight of 317.61 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-chloroanilino)-N-cyclopropylpropanamide is sourced from PubChem (CID 81280708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).