3-(2-bromo-5-chloroanilino)-N-cyclopropylpropanamide

C12H14BrClN2O — CID 81281134

IUPAC3-(2-bromo-5-chloroanilino)-N-cyclopropylpropanamide
SMILESO=C(CCNc1cc(Cl)ccc1Br)NC1CC1
InChIInChI=1S/C12H14BrClN2O/c13-10-4-1-8(14)7-11(10)15-6-5-12(17)16-9-2-3-9/h1,4,7,9,15H,2-3,5-6H2,(H,16,17)
InChIKeyUEAFTGNJODMJOP-UHFFFAOYSA-N
MW317.61 g/mol
LogP3.18
Rot. Bonds5

About 3-(2-bromo-5-chloroanilino)-N-cyclopropylpropanamide

3-(2-bromo-5-chloroanilino)-N-cyclopropylpropanamide (PubChem CID 81281134) has the molecular formula C12H14BrClN2O and a molecular weight of 317.61 g/mol. Its IUPAC name is 3-(2-bromo-5-chloroanilino)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-(2-bromo-5-chloroanilino)-N-cyclopropylpropanamide
PubChem CID81281134
Molecular FormulaC12H14BrClN2O
Molecular Weight317.61 g/mol
Exact Mass316.00
IUPAC Name3-(2-bromo-5-chloroanilino)-N-cyclopropylpropanamide
SMILESO=C(CCNc1cc(Cl)ccc1Br)NC1CC1
InChIInChI=1S/C12H14BrClN2O/c13-10-4-1-8(14)7-11(10)15-6-5-12(17)16-9-2-3-9/h1,4,7,9,15H,2-3,5-6H2,(H,16,17)
InChIKeyUEAFTGNJODMJOP-UHFFFAOYSA-N
XLogP3.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

3-(4-bromo-2-chloroanilino)-N-cyclopropylpropanamide
CID 62627923
N-(4-aminocyclohexyl)-3-(2-bromo-5-chlorophenyl)propanamide;hydrochloride
CID 119476172
2-(2-bromo-5-chloroanilino)-N-cyclopropylpropanamide
CID 81280708
N-cyclopropyl-3-[(2,4-dichlorophenyl)methylamino]propanamide
CID 78978000
2-(2-bromo-4-chloroanilino)-N-cyclopentylacetamide
CID 81270445
N-(2-bromo-5-chlorophenyl)-2-(cyclopentylamino)acetamide
CID 81270958
3-(3-chloroanilino)-N-cycloheptylpropanamide
CID 109031475
N-(2-bromo-5-chlorophenyl)-3-chloropropanamide
CID 81263666
3-(2-bromo-4-chloroanilino)-N-methylpropanamide
CID 81270766
4-[(7-chloroquinolin-4-yl)amino]-N-cyclopropylbutanamide
CID 112730857
N-(2-bromophenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038471
4-(4-amino-2-bromoanilino)-N-cyclopropylbutanamide
CID 79394565

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-chloroanilino)-N-cyclopropylpropanamide?
The IUPAC name of 3-(2-bromo-5-chloroanilino)-N-cyclopropylpropanamide (CID 81281134) is 3-(2-bromo-5-chloroanilino)-N-cyclopropylpropanamide.
What is the SMILES notation for 3-(2-bromo-5-chloroanilino)-N-cyclopropylpropanamide?
The canonical SMILES for 3-(2-bromo-5-chloroanilino)-N-cyclopropylpropanamide is O=C(CCNc1cc(Cl)ccc1Br)NC1CC1.
What is the InChIKey of 3-(2-bromo-5-chloroanilino)-N-cyclopropylpropanamide?
The InChIKey is UEAFTGNJODMJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2O/c13-10-4-1-8(14)7-11(10)15-6-5-12(17)16-9-2-3-9/h1,4,7,9,15H,2-3,5-6H2,(H,16,17).
What are the key properties of 3-(2-bromo-5-chloroanilino)-N-cyclopropylpropanamide?
3-(2-bromo-5-chloroanilino)-N-cyclopropylpropanamide has a molecular weight of 317.61 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-chloroanilino)-N-cyclopropylpropanamide is sourced from PubChem (CID 81281134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).