(2R)-2-(3-bromoanilino)-N-(3-methylphenyl)propanamide

C16H17BrN2O — CID 2464663

IUPAC(2R)-2-(3-bromoanilino)-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)[C@@H](C)Nc2cccc(Br)c2)c1
InChIInChI=1S/C16H17BrN2O/c1-11-5-3-7-14(9-11)19-16(20)12(2)18-15-8-4-6-13(17)10-15/h3-10,12,18H,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyQMXRSFWMKPBRIC-GFCCVEGCSA-N
MW333.23 g/mol
LogP4.20
Rot. Bonds4

About (2R)-2-(3-bromoanilino)-N-(3-methylphenyl)propanamide

(2R)-2-(3-bromoanilino)-N-(3-methylphenyl)propanamide (PubChem CID 2464663) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is (2R)-2-(3-bromoanilino)-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3-bromoanilino)-N-(3-methylphenyl)propanamide
PubChem CID2464663
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name(2R)-2-(3-bromoanilino)-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)[C@@H](C)Nc2cccc(Br)c2)c1
InChIInChI=1S/C16H17BrN2O/c1-11-5-3-7-14(9-11)19-16(20)12(2)18-15-8-4-6-13(17)10-15/h3-10,12,18H,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyQMXRSFWMKPBRIC-GFCCVEGCSA-N
XLogP4.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromophenyl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 110880174
2-(4-fluoroanilino)-N-(3-methylphenyl)propanamide
CID 46757746
N-(3-bromophenyl)-2-(4-methoxyanilino)propanamide
CID 51242436
(2S)-2-(methylamino)-N-(3-methylphenyl)propanamide
CID 59393630
(2S)-2-(3-bromoanilino)-N-(2-methylpropyl)propanamide
CID 28840479
2-(4-methoxyanilino)-N-(3-methylphenyl)propanamide
CID 46757337
N-(2,4-dimethylphenyl)-2-(3-methylanilino)propanamide
CID 46757367
N-(3-bromophenyl)-2-hydroxypropanamide
CID 82130318
2-(2,3-dimethylanilino)-N-(3-methylphenyl)propanamide
CID 46757400
(2R)-2-(3-methylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 39415589
(2S)-2-(3-methylanilino)propanoic acid
CID 7148356
ethane;2-methyl-N-(3-methylphenyl)propanamide
CID 163229096

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-bromoanilino)-N-(3-methylphenyl)propanamide?
The IUPAC name of (2R)-2-(3-bromoanilino)-N-(3-methylphenyl)propanamide (CID 2464663) is (2R)-2-(3-bromoanilino)-N-(3-methylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(3-bromoanilino)-N-(3-methylphenyl)propanamide?
The canonical SMILES for (2R)-2-(3-bromoanilino)-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)[C@@H](C)Nc2cccc(Br)c2)c1.
What is the InChIKey of (2R)-2-(3-bromoanilino)-N-(3-methylphenyl)propanamide?
The InChIKey is QMXRSFWMKPBRIC-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-11-5-3-7-14(9-11)19-16(20)12(2)18-15-8-4-6-13(17)10-15/h3-10,12,18H,1-2H3,(H,19,20)/t12-/m1/s1.
What are the key properties of (2R)-2-(3-bromoanilino)-N-(3-methylphenyl)propanamide?
(2R)-2-(3-bromoanilino)-N-(3-methylphenyl)propanamide has a molecular weight of 333.23 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-bromoanilino)-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 2464663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).