(2R)-N-[3-(4-bromoanilino)-3-oxopropyl]-2-prop-2-enoxypropanamide

C15H19BrN2O3 — CID 52511214

IUPAC(2R)-N-[3-(4-bromoanilino)-3-oxopropyl]-2-prop-2-enoxypropanamide
SMILESC=CCO[C@H](C)C(=O)NCCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H19BrN2O3/c1-3-10-21-11(2)15(20)17-9-8-14(19)18-13-6-4-12(16)5-7-13/h3-7,11H,1,8-10H2,2H3,(H,17,20)(H,18,19)/t11-/m1/s1
InChIKeyGMCMHHOASXGIPF-LLVKDONJSA-N
MW355.23 g/mol
LogP2.48
Rot. Bonds8

About (2R)-N-[3-(4-bromoanilino)-3-oxopropyl]-2-prop-2-enoxypropanamide

(2R)-N-[3-(4-bromoanilino)-3-oxopropyl]-2-prop-2-enoxypropanamide (PubChem CID 52511214) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is (2R)-N-[3-(4-bromoanilino)-3-oxopropyl]-2-prop-2-enoxypropanamide.

Molecular Properties

Compound Name(2R)-N-[3-(4-bromoanilino)-3-oxopropyl]-2-prop-2-enoxypropanamide
PubChem CID52511214
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name(2R)-N-[3-(4-bromoanilino)-3-oxopropyl]-2-prop-2-enoxypropanamide
SMILESC=CCO[C@H](C)C(=O)NCCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H19BrN2O3/c1-3-10-21-11(2)15(20)17-9-8-14(19)18-13-6-4-12(16)5-7-13/h3-7,11H,1,8-10H2,2H3,(H,17,20)(H,18,19)/t11-/m1/s1
InChIKeyGMCMHHOASXGIPF-LLVKDONJSA-N
XLogP2.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-bromoanilino)-3-oxopropyl]-2-(2-chlorophenoxy)propanamide
CID 55952611
N-[3-(4-bromoanilino)-3-oxopropyl]-2-methyl-3-(methylamino)propanamide
CID 119739143
3-amino-N-[3-(4-bromoanilino)-3-oxopropyl]butanamide
CID 119739151
3-[(4-bromophenyl)carbamoylamino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 55796869
3-amino-N-[3-(4-bromoanilino)-3-oxopropyl]butanamide;hydrochloride
CID 119739150
N-(4-bromophenyl)-4-methylpentanamide
CID 28780538
N-[3-(4-bromoanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride
CID 119739124
4-bromo-N-[3-oxo-3-(4-propan-2-yloxyanilino)propyl]benzamide
CID 55796575
N-(4-bromophenyl)-3-(3-methylbutylamino)propanamide
CID 109032040
[(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl] 3-acetamidopropanoate
CID 7197466
N-(4-bromophenyl)-3-(pentan-3-ylamino)propanamide
CID 119106516
5-amino-N-(4-bromophenyl)hexanamide
CID 82848125

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(4-bromoanilino)-3-oxopropyl]-2-prop-2-enoxypropanamide?
The IUPAC name of (2R)-N-[3-(4-bromoanilino)-3-oxopropyl]-2-prop-2-enoxypropanamide (CID 52511214) is (2R)-N-[3-(4-bromoanilino)-3-oxopropyl]-2-prop-2-enoxypropanamide.
What is the SMILES notation for (2R)-N-[3-(4-bromoanilino)-3-oxopropyl]-2-prop-2-enoxypropanamide?
The canonical SMILES for (2R)-N-[3-(4-bromoanilino)-3-oxopropyl]-2-prop-2-enoxypropanamide is C=CCO[C@H](C)C(=O)NCCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of (2R)-N-[3-(4-bromoanilino)-3-oxopropyl]-2-prop-2-enoxypropanamide?
The InChIKey is GMCMHHOASXGIPF-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-3-10-21-11(2)15(20)17-9-8-14(19)18-13-6-4-12(16)5-7-13/h3-7,11H,1,8-10H2,2H3,(H,17,20)(H,18,19)/t11-/m1/s1.
What are the key properties of (2R)-N-[3-(4-bromoanilino)-3-oxopropyl]-2-prop-2-enoxypropanamide?
(2R)-N-[3-(4-bromoanilino)-3-oxopropyl]-2-prop-2-enoxypropanamide has a molecular weight of 355.23 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(4-bromoanilino)-3-oxopropyl]-2-prop-2-enoxypropanamide is sourced from PubChem (CID 52511214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).