(2R)-2-bromo-N-[3-(4-methoxyanilino)-3-oxopropyl]pentanamide

C15H21BrN2O3 — CID 26584930

IUPAC(2R)-2-bromo-N-[3-(4-methoxyanilino)-3-oxopropyl]pentanamide
SMILESCCC[C@@H](Br)C(=O)NCCC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C15H21BrN2O3/c1-3-4-13(16)15(20)17-10-9-14(19)18-11-5-7-12(21-2)8-6-11/h5-8,13H,3-4,9-10H2,1-2H3,(H,17,20)(H,18,19)/t13-/m1/s1
InChIKeyWKVIJNNZKOLNDW-CYBMUJFWSA-N
MW357.25 g/mol
LogP2.70
Rot. Bonds8

About (2R)-2-bromo-N-[3-(4-methoxyanilino)-3-oxopropyl]pentanamide

(2R)-2-bromo-N-[3-(4-methoxyanilino)-3-oxopropyl]pentanamide (PubChem CID 26584930) has the molecular formula C15H21BrN2O3 and a molecular weight of 357.25 g/mol. Its IUPAC name is (2R)-2-bromo-N-[3-(4-methoxyanilino)-3-oxopropyl]pentanamide.

Molecular Properties

Compound Name(2R)-2-bromo-N-[3-(4-methoxyanilino)-3-oxopropyl]pentanamide
PubChem CID26584930
Molecular FormulaC15H21BrN2O3
Molecular Weight357.25 g/mol
Exact Mass356.07
IUPAC Name(2R)-2-bromo-N-[3-(4-methoxyanilino)-3-oxopropyl]pentanamide
SMILESCCC[C@@H](Br)C(=O)NCCC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C15H21BrN2O3/c1-3-4-13(16)15(20)17-10-9-14(19)18-11-5-7-12(21-2)8-6-11/h5-8,13H,3-4,9-10H2,1-2H3,(H,17,20)(H,18,19)/t13-/m1/s1
InChIKeyWKVIJNNZKOLNDW-CYBMUJFWSA-N
XLogP2.70
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(3-anilino-3-oxopropyl)-2-bromopentanamide
CID 40803155
(2S)-2-bromo-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]pentanamide
CID 26584980
(2R)-2-bromo-N-[3-(3-ethoxyanilino)-3-oxopropyl]pentanamide
CID 40803315
(2R)-2-bromo-N-[3-(4-methylanilino)-3-oxopropyl]butanamide
CID 40803225
(2S)-2-bromo-N-[3-(2,5-dimethylanilino)-3-oxopropyl]pentanamide
CID 40803266
N-[3-(4-ethoxyanilino)-3-oxopropyl]-4-methoxybenzamide
CID 46755855
(2S,3S)-2-ethyl-3-hydroxy-N-(4-methoxyphenyl)hexanamide
CID 11777634
3-acetamido-N-[4-(4-methoxyphenyl)sulfanylphenyl]propanamide
CID 167892845
N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461
ethyl 4-[3-[[(2S)-2-bromobutanoyl]amino]propanoylamino]benzoate
CID 40803216
N-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]butanamide
CID 17202461
N-(4-acetamidophenyl)-3-(4-methoxyanilino)propanamide
CID 109039685

Frequently Asked Questions

What is the IUPAC name of (2R)-2-bromo-N-[3-(4-methoxyanilino)-3-oxopropyl]pentanamide?
The IUPAC name of (2R)-2-bromo-N-[3-(4-methoxyanilino)-3-oxopropyl]pentanamide (CID 26584930) is (2R)-2-bromo-N-[3-(4-methoxyanilino)-3-oxopropyl]pentanamide.
What is the SMILES notation for (2R)-2-bromo-N-[3-(4-methoxyanilino)-3-oxopropyl]pentanamide?
The canonical SMILES for (2R)-2-bromo-N-[3-(4-methoxyanilino)-3-oxopropyl]pentanamide is CCC[C@@H](Br)C(=O)NCCC(=O)Nc1ccc(OC)cc1.
What is the InChIKey of (2R)-2-bromo-N-[3-(4-methoxyanilino)-3-oxopropyl]pentanamide?
The InChIKey is WKVIJNNZKOLNDW-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21BrN2O3/c1-3-4-13(16)15(20)17-10-9-14(19)18-11-5-7-12(21-2)8-6-11/h5-8,13H,3-4,9-10H2,1-2H3,(H,17,20)(H,18,19)/t13-/m1/s1.
What are the key properties of (2R)-2-bromo-N-[3-(4-methoxyanilino)-3-oxopropyl]pentanamide?
(2R)-2-bromo-N-[3-(4-methoxyanilino)-3-oxopropyl]pentanamide has a molecular weight of 357.25 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-bromo-N-[3-(4-methoxyanilino)-3-oxopropyl]pentanamide is sourced from PubChem (CID 26584930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).