2-amino-N-(3-bromo-4-cyanophenyl)-3-cyclopropylpropanamide

C13H14BrN3O — CID 112736075

IUPAC2-amino-N-(3-bromo-4-cyanophenyl)-3-cyclopropylpropanamide
SMILESN#Cc1ccc(NC(=O)C(N)CC2CC2)cc1Br
InChIInChI=1S/C13H14BrN3O/c14-11-6-10(4-3-9(11)7-15)17-13(18)12(16)5-8-1-2-8/h3-4,6,8,12H,1-2,5,16H2,(H,17,18)
InChIKeyQWGFQVMPDVQSGE-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.39
Rot. Bonds4

About 2-amino-N-(3-bromo-4-cyanophenyl)-3-cyclopropylpropanamide

2-amino-N-(3-bromo-4-cyanophenyl)-3-cyclopropylpropanamide (PubChem CID 112736075) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 2-amino-N-(3-bromo-4-cyanophenyl)-3-cyclopropylpropanamide.

Molecular Properties

Compound Name2-amino-N-(3-bromo-4-cyanophenyl)-3-cyclopropylpropanamide
PubChem CID112736075
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name2-amino-N-(3-bromo-4-cyanophenyl)-3-cyclopropylpropanamide
SMILESN#Cc1ccc(NC(=O)C(N)CC2CC2)cc1Br
InChIInChI=1S/C13H14BrN3O/c14-11-6-10(4-3-9(11)7-15)17-13(18)12(16)5-8-1-2-8/h3-4,6,8,12H,1-2,5,16H2,(H,17,18)
InChIKeyQWGFQVMPDVQSGE-UHFFFAOYSA-N
XLogP2.39
TPSA78.91 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 ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(2-cyanophenyl)-3-cyclopropylpropanamide
CID 112735200
2-amino-N-(1,3-benzodioxol-5-yl)-3-cyclopropylpropanamide
CID 112735210
4-[(2-amino-2-cyclopropylethyl)amino]-2-bromobenzonitrile
CID 107280864
(2S)-2-amino-N-(3,4-dicyanophenyl)butanamide
CID 107790511
2-(3-bromo-4-cyanoanilino)-N-cyclopropylpropanamide
CID 107276659
2-bromo-4-(dicyclopropylmethylamino)benzonitrile
CID 107276087
2-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]butanamide
CID 65483963
N-(3-bromo-4-cyanophenyl)oxolane-3-carboxamide
CID 112736097
(2S)-N-(3-chloro-4-cyanophenyl)-2-(cyclopropylmethylamino)propanamide
CID 67012255
5-amino-N-(3-bromo-4-cyanophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 112736233
4-(3-bromo-4-cyanoanilino)benzoic acid
CID 107275336
2-bromo-4-(1,3-dihydroxypropan-2-ylamino)benzonitrile
CID 107276450

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-bromo-4-cyanophenyl)-3-cyclopropylpropanamide?
The IUPAC name of 2-amino-N-(3-bromo-4-cyanophenyl)-3-cyclopropylpropanamide (CID 112736075) is 2-amino-N-(3-bromo-4-cyanophenyl)-3-cyclopropylpropanamide.
What is the SMILES notation for 2-amino-N-(3-bromo-4-cyanophenyl)-3-cyclopropylpropanamide?
The canonical SMILES for 2-amino-N-(3-bromo-4-cyanophenyl)-3-cyclopropylpropanamide is N#Cc1ccc(NC(=O)C(N)CC2CC2)cc1Br.
What is the InChIKey of 2-amino-N-(3-bromo-4-cyanophenyl)-3-cyclopropylpropanamide?
The InChIKey is QWGFQVMPDVQSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c14-11-6-10(4-3-9(11)7-15)17-13(18)12(16)5-8-1-2-8/h3-4,6,8,12H,1-2,5,16H2,(H,17,18).
What are the key properties of 2-amino-N-(3-bromo-4-cyanophenyl)-3-cyclopropylpropanamide?
2-amino-N-(3-bromo-4-cyanophenyl)-3-cyclopropylpropanamide has a molecular weight of 308.18 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-bromo-4-cyanophenyl)-3-cyclopropylpropanamide is sourced from PubChem (CID 112736075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).