3-(3-bromoanilino)-N-methylpropanamide

C10H13BrN2O — CID 62324388

IUPAC3-(3-bromoanilino)-N-methylpropanamide
SMILESCNC(=O)CCNc1cccc(Br)c1
InChIInChI=1S/C10H13BrN2O/c1-12-10(14)5-6-13-9-4-2-3-8(11)7-9/h2-4,7,13H,5-6H2,1H3,(H,12,14)
InChIKeyVRAKVIKJTSCUAW-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.00
Rot. Bonds4

About 3-(3-bromoanilino)-N-methylpropanamide

3-(3-bromoanilino)-N-methylpropanamide (PubChem CID 62324388) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 3-(3-bromoanilino)-N-methylpropanamide.

Molecular Properties

Compound Name3-(3-bromoanilino)-N-methylpropanamide
PubChem CID62324388
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name3-(3-bromoanilino)-N-methylpropanamide
SMILESCNC(=O)CCNc1cccc(Br)c1
InChIInChI=1S/C10H13BrN2O/c1-12-10(14)5-6-13-9-4-2-3-8(11)7-9/h2-4,7,13H,5-6H2,1H3,(H,12,14)
InChIKeyVRAKVIKJTSCUAW-UHFFFAOYSA-N
XLogP2.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-(3-methylsulfanylanilino)propanamide
CID 62324761
3-(3-cyanoanilino)-N-methylpropanamide
CID 62324196
3-(3-bromoanilino)-N-(3,4-difluorophenyl)propanamide
CID 109042183
3-(3-bromoanilino)-N-(2-tert-butylphenyl)propanamide
CID 109037286
N-(3-bromophenyl)-3-(4-fluoroanilino)propanamide
CID 109037759
3-(3-bromoanilino)-N-(2,4-dichlorophenyl)propanamide
CID 109042170
4-[(6-bromonaphthalen-2-yl)amino]-N-methylbutanamide
CID 81260425
3-(3-fluoro-4-methylanilino)-N-methylpropanamide
CID 62325316
2-[(3-bromophenyl)carbamoylamino]-N-methylacetamide
CID 47031802
N-[2-(3-bromoanilino)ethyl]-2-hydroxypropanamide
CID 75483837
N-(3-bromophenyl)-3-(4-cyanoanilino)propanamide
CID 109042157
ethyl 4-(3-bromoanilino)butanoate
CID 67442615

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromoanilino)-N-methylpropanamide?
The IUPAC name of 3-(3-bromoanilino)-N-methylpropanamide (CID 62324388) is 3-(3-bromoanilino)-N-methylpropanamide.
What is the SMILES notation for 3-(3-bromoanilino)-N-methylpropanamide?
The canonical SMILES for 3-(3-bromoanilino)-N-methylpropanamide is CNC(=O)CCNc1cccc(Br)c1.
What is the InChIKey of 3-(3-bromoanilino)-N-methylpropanamide?
The InChIKey is VRAKVIKJTSCUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-12-10(14)5-6-13-9-4-2-3-8(11)7-9/h2-4,7,13H,5-6H2,1H3,(H,12,14).
What are the key properties of 3-(3-bromoanilino)-N-methylpropanamide?
3-(3-bromoanilino)-N-methylpropanamide has a molecular weight of 257.13 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromoanilino)-N-methylpropanamide is sourced from PubChem (CID 62324388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).