2-(3-bromoanilino)-2-cyclopropylpropanamide

C12H15BrN2O — CID 61006538

IUPAC2-(3-bromoanilino)-2-cyclopropylpropanamide
SMILESCC(Nc1cccc(Br)c1)(C(N)=O)C1CC1
InChIInChI=1S/C12H15BrN2O/c1-12(11(14)16,8-5-6-8)15-10-4-2-3-9(13)7-10/h2-4,7-8,15H,5-6H2,1H3,(H2,14,16)
InChIKeyBJMQWOSHBSUZHE-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.52
Rot. Bonds4

About 2-(3-bromoanilino)-2-cyclopropylpropanamide

2-(3-bromoanilino)-2-cyclopropylpropanamide (PubChem CID 61006538) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 2-(3-bromoanilino)-2-cyclopropylpropanamide.

Molecular Properties

Compound Name2-(3-bromoanilino)-2-cyclopropylpropanamide
PubChem CID61006538
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name2-(3-bromoanilino)-2-cyclopropylpropanamide
SMILESCC(Nc1cccc(Br)c1)(C(N)=O)C1CC1
InChIInChI=1S/C12H15BrN2O/c1-12(11(14)16,8-5-6-8)15-10-4-2-3-9(13)7-10/h2-4,7-8,15H,5-6H2,1H3,(H2,14,16)
InChIKeyBJMQWOSHBSUZHE-UHFFFAOYSA-N
XLogP2.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromoanilino)-2-cyclopropylpropanoic acid
CID 60994138
2-(3-bromoanilino)-2-phenylpropanamide
CID 54891412
2-(3-bromoanilino)-2-(4-bromophenyl)propanamide
CID 60992244
2-(3-bromoanilino)-3,3-dimethoxy-2-methylpropanamide
CID 66165349
2-(3-bromoanilino)-2-(2-methylphenyl)propanamide
CID 60992122
2-(3-bromoanilino)-2-(4-methylphenyl)propanamide
CID 60991987
methyl 2-(3-bromoanilino)-2-cyclopropylbutanoate
CID 64917845
2-(3-bromoanilino)-2-(3,4-dichlorophenyl)propanamide
CID 60992379
2-N-(3-bromophenyl)-2-cyclopropylbutane-1,2-diamine
CID 65378521
3-bromo-N-(4-tert-butylcyclohexyl)aniline
CID 28546222
2-(3-bromoanilino)-2-(3-bromophenyl)propanoic acid
CID 60993850
2-(3-bromoanilino)-2-methylpropan-1-ol
CID 61048662

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-2-cyclopropylpropanamide?
The IUPAC name of 2-(3-bromoanilino)-2-cyclopropylpropanamide (CID 61006538) is 2-(3-bromoanilino)-2-cyclopropylpropanamide.
What is the SMILES notation for 2-(3-bromoanilino)-2-cyclopropylpropanamide?
The canonical SMILES for 2-(3-bromoanilino)-2-cyclopropylpropanamide is CC(Nc1cccc(Br)c1)(C(N)=O)C1CC1.
What is the InChIKey of 2-(3-bromoanilino)-2-cyclopropylpropanamide?
The InChIKey is BJMQWOSHBSUZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-12(11(14)16,8-5-6-8)15-10-4-2-3-9(13)7-10/h2-4,7-8,15H,5-6H2,1H3,(H2,14,16).
What are the key properties of 2-(3-bromoanilino)-2-cyclopropylpropanamide?
2-(3-bromoanilino)-2-cyclopropylpropanamide has a molecular weight of 283.17 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-2-cyclopropylpropanamide is sourced from PubChem (CID 61006538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).