(2S)-2-(3-bromoanilino)-N-(2-methylpropyl)propanamide

C13H19BrN2O — CID 28840479

IUPAC(2S)-2-(3-bromoanilino)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)[C@H](C)Nc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O/c1-9(2)8-15-13(17)10(3)16-12-6-4-5-11(14)7-12/h4-7,9-10,16H,8H2,1-3H3,(H,15,17)/t10-/m0/s1
InChIKeyUFVIXINPUMAEOR-JTQLQIEISA-N
MW299.21 g/mol
LogP3.02
Rot. Bonds5

About (2S)-2-(3-bromoanilino)-N-(2-methylpropyl)propanamide

(2S)-2-(3-bromoanilino)-N-(2-methylpropyl)propanamide (PubChem CID 28840479) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is (2S)-2-(3-bromoanilino)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3-bromoanilino)-N-(2-methylpropyl)propanamide
PubChem CID28840479
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name(2S)-2-(3-bromoanilino)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)[C@H](C)Nc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O/c1-9(2)8-15-13(17)10(3)16-12-6-4-5-11(14)7-12/h4-7,9-10,16H,8H2,1-3H3,(H,15,17)/t10-/m0/s1
InChIKeyUFVIXINPUMAEOR-JTQLQIEISA-N
XLogP3.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(3-bromoanilino)-N-(3-methylphenyl)propanamide
CID 2464663
2-(3-bromoanilino)-N-butan-2-ylpropanamide
CID 43112804
N'-(3-bromophenyl)-N-(2-methylpropyl)oxamide
CID 2248971
N-(3-bromophenyl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 110880174
(2S)-2-(4-methylanilino)-N-(2-methylpropyl)propanamide
CID 28841175
2-(3-iodo-4-methylanilino)-N-(2-methylpropyl)propanamide
CID 113219253
N-[2-(3-bromoanilino)ethyl]-2-hydroxypropanamide
CID 75483837
2-(3-bromoanilino)-4-methylpentanoic acid
CID 60993001
(2R)-2-(3-methylanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 51925493
2-(2,6-difluoroanilino)-N-(2-methylpropyl)propanamide
CID 43088760
3-[[1-(ethylamino)-1-oxopropan-2-yl]amino]benzamide
CID 103603772
2-amino-4-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]benzoic acid
CID 104500881

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-bromoanilino)-N-(2-methylpropyl)propanamide?
The IUPAC name of (2S)-2-(3-bromoanilino)-N-(2-methylpropyl)propanamide (CID 28840479) is (2S)-2-(3-bromoanilino)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for (2S)-2-(3-bromoanilino)-N-(2-methylpropyl)propanamide?
The canonical SMILES for (2S)-2-(3-bromoanilino)-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)[C@H](C)Nc1cccc(Br)c1.
What is the InChIKey of (2S)-2-(3-bromoanilino)-N-(2-methylpropyl)propanamide?
The InChIKey is UFVIXINPUMAEOR-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-9(2)8-15-13(17)10(3)16-12-6-4-5-11(14)7-12/h4-7,9-10,16H,8H2,1-3H3,(H,15,17)/t10-/m0/s1.
What are the key properties of (2S)-2-(3-bromoanilino)-N-(2-methylpropyl)propanamide?
(2S)-2-(3-bromoanilino)-N-(2-methylpropyl)propanamide has a molecular weight of 299.21 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-bromoanilino)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 28840479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).