2-(3-bromo-4-cyanoanilino)-N-cyclopropylpropanamide

C13H14BrN3O — CID 107276659

IUPAC2-(3-bromo-4-cyanoanilino)-N-cyclopropylpropanamide
SMILESCC(Nc1ccc(C#N)c(Br)c1)C(=O)NC1CC1
InChIInChI=1S/C13H14BrN3O/c1-8(13(18)17-10-4-5-10)16-11-3-2-9(7-15)12(14)6-11/h2-3,6,8,10,16H,4-5H2,1H3,(H,17,18)
InChIKeyFDMCYGHLDQANLN-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.40
Rot. Bonds4

About 2-(3-bromo-4-cyanoanilino)-N-cyclopropylpropanamide

2-(3-bromo-4-cyanoanilino)-N-cyclopropylpropanamide (PubChem CID 107276659) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 2-(3-bromo-4-cyanoanilino)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-(3-bromo-4-cyanoanilino)-N-cyclopropylpropanamide
PubChem CID107276659
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name2-(3-bromo-4-cyanoanilino)-N-cyclopropylpropanamide
SMILESCC(Nc1ccc(C#N)c(Br)c1)C(=O)NC1CC1
InChIInChI=1S/C13H14BrN3O/c1-8(13(18)17-10-4-5-10)16-11-3-2-9(7-15)12(14)6-11/h2-3,6,8,10,16H,4-5H2,1H3,(H,17,18)
InChIKeyFDMCYGHLDQANLN-UHFFFAOYSA-N
XLogP2.40
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-cyanoanilino)-N-cyclopentylpropanamide
CID 43168430
2-bromo-4-(1-cyclohexylethylamino)benzonitrile
CID 107276282
(2S)-2-(4-bromo-3-methylanilino)-N-cyclohexylpropanamide
CID 7043625
2-bromo-4-(dicyclopropylmethylamino)benzonitrile
CID 107276087
N-cyclopropyl-2-(4-methylanilino)propanamide
CID 43085895
(2R)-2-(4-bromoanilino)-N-cyclopentylpropanamide
CID 8005833
N-cyclopropyl-2-(4-iodoanilino)propanamide
CID 43086001
N-cyclopropyl-2-(2,4,6-tribromoanilino)propanamide
CID 43126368
2-bromo-4-(1,3-dihydroxypropan-2-ylamino)benzonitrile
CID 107276450
2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpropanamide
CID 43082548
2-amino-N-(3-bromo-4-cyanophenyl)-3-cyclopropylpropanamide
CID 112736075
2-(3-cyano-2-nitroanilino)-N-cyclopropylpropanamide
CID 104718036

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-cyanoanilino)-N-cyclopropylpropanamide?
The IUPAC name of 2-(3-bromo-4-cyanoanilino)-N-cyclopropylpropanamide (CID 107276659) is 2-(3-bromo-4-cyanoanilino)-N-cyclopropylpropanamide.
What is the SMILES notation for 2-(3-bromo-4-cyanoanilino)-N-cyclopropylpropanamide?
The canonical SMILES for 2-(3-bromo-4-cyanoanilino)-N-cyclopropylpropanamide is CC(Nc1ccc(C#N)c(Br)c1)C(=O)NC1CC1.
What is the InChIKey of 2-(3-bromo-4-cyanoanilino)-N-cyclopropylpropanamide?
The InChIKey is FDMCYGHLDQANLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-8(13(18)17-10-4-5-10)16-11-3-2-9(7-15)12(14)6-11/h2-3,6,8,10,16H,4-5H2,1H3,(H,17,18).
What are the key properties of 2-(3-bromo-4-cyanoanilino)-N-cyclopropylpropanamide?
2-(3-bromo-4-cyanoanilino)-N-cyclopropylpropanamide has a molecular weight of 308.18 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-cyanoanilino)-N-cyclopropylpropanamide is sourced from PubChem (CID 107276659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).