3-(4-bromoanilino)-N-(2-methoxyphenyl)propanamide

C16H17BrN2O2 — CID 109039232

IUPAC3-(4-bromoanilino)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCNc1ccc(Br)cc1
InChIInChI=1S/C16H17BrN2O2/c1-21-15-5-3-2-4-14(15)19-16(20)10-11-18-13-8-6-12(17)7-9-13/h2-9,18H,10-11H2,1H3,(H,19,20)
InChIKeyMPAXVHIOXHENSS-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.90
Rot. Bonds6

About 3-(4-bromoanilino)-N-(2-methoxyphenyl)propanamide

3-(4-bromoanilino)-N-(2-methoxyphenyl)propanamide (PubChem CID 109039232) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 3-(4-bromoanilino)-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4-bromoanilino)-N-(2-methoxyphenyl)propanamide
PubChem CID109039232
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name3-(4-bromoanilino)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCNc1ccc(Br)cc1
InChIInChI=1S/C16H17BrN2O2/c1-21-15-5-3-2-4-14(15)19-16(20)10-11-18-13-8-6-12(17)7-9-13/h2-9,18H,10-11H2,1H3,(H,19,20)
InChIKeyMPAXVHIOXHENSS-UHFFFAOYSA-N
XLogP3.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyphenyl)-3-[4-(trifluoromethyl)anilino]propanamide
CID 109039356
N-(2-methoxyphenyl)-3-(methylamino)propanamide
CID 54773589
3-(4-bromoanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 109039271
3-(2,6-diethylanilino)-N-(2-methoxyphenyl)propanamide
CID 109037115
2-(4-bromoanilino)-N-(2-ethoxyphenyl)acetamide
CID 7535577
(4-bromophenyl)methyl 4-(2-methoxyanilino)-4-oxobutanoate
CID 1297873
N-(2,4-difluorophenyl)-3-(2-methoxyanilino)propanamide
CID 109039452
3-[[amino-(2-methoxyanilino)methylidene]amino]-N-(4-bromophenyl)propanamide;hydroiodide
CID 111076842
N-(2,3-dimethylphenyl)-3-(2-methoxyanilino)propanamide
CID 8893151
2-(5-bromo-2-methoxyanilino)-N-(2-methoxyphenyl)acetamide
CID 87030481
N-(2-methoxy-5-methylphenyl)-3-(4-methylanilino)propanamide
CID 109034471
4,4,4-trifluoro-N-(2-methoxyphenyl)butanamide
CID 155941258

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromoanilino)-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 3-(4-bromoanilino)-N-(2-methoxyphenyl)propanamide (CID 109039232) is 3-(4-bromoanilino)-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(4-bromoanilino)-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 3-(4-bromoanilino)-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)CCNc1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromoanilino)-N-(2-methoxyphenyl)propanamide?
The InChIKey is MPAXVHIOXHENSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-21-15-5-3-2-4-14(15)19-16(20)10-11-18-13-8-6-12(17)7-9-13/h2-9,18H,10-11H2,1H3,(H,19,20).
What are the key properties of 3-(4-bromoanilino)-N-(2-methoxyphenyl)propanamide?
3-(4-bromoanilino)-N-(2-methoxyphenyl)propanamide has a molecular weight of 349.23 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromoanilino)-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 109039232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).