(2R)-2-bromo-N-[2-(4-chlorophenyl)ethyl]butanamide

C12H15BrClNO — CID 92864169

IUPAC(2R)-2-bromo-N-[2-(4-chlorophenyl)ethyl]butanamide
SMILESCC[C@@H](Br)C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C12H15BrClNO/c1-2-11(13)12(16)15-8-7-9-3-5-10(14)6-4-9/h3-6,11H,2,7-8H2,1H3,(H,15,16)/t11-/m1/s1
InChIKeyJNMRCPQSIPYFNI-LLVKDONJSA-N
MW304.62 g/mol
LogP3.17
Rot. Bonds5

About (2R)-2-bromo-N-[2-(4-chlorophenyl)ethyl]butanamide

(2R)-2-bromo-N-[2-(4-chlorophenyl)ethyl]butanamide (PubChem CID 92864169) has the molecular formula C12H15BrClNO and a molecular weight of 304.62 g/mol. Its IUPAC name is (2R)-2-bromo-N-[2-(4-chlorophenyl)ethyl]butanamide.

Molecular Properties

Compound Name(2R)-2-bromo-N-[2-(4-chlorophenyl)ethyl]butanamide
PubChem CID92864169
Molecular FormulaC12H15BrClNO
Molecular Weight304.62 g/mol
Exact Mass303.00
IUPAC Name(2R)-2-bromo-N-[2-(4-chlorophenyl)ethyl]butanamide
SMILESCC[C@@H](Br)C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C12H15BrClNO/c1-2-11(13)12(16)15-8-7-9-3-5-10(14)6-4-9/h3-6,11H,2,7-8H2,1H3,(H,15,16)/t11-/m1/s1
InChIKeyJNMRCPQSIPYFNI-LLVKDONJSA-N
XLogP3.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.62
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-bromo-N-(2-phenylethyl)butanamide
CID 51659927
(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 78973575
2-bromo-N-[2-(3-methylphenyl)ethyl]butanamide
CID 62855844
N-[2-(4-chlorophenyl)ethyl]-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76925228
2-(4-chlorophenyl)ethylcarbamic acid
CID 57014413
N-[2-(4-chlorophenyl)ethyl]butanamide
CID 60628099
2-amino-N-[2-(4-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride
CID 119263480
(2R)-2-amino-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 70832630
(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]butanediamide
CID 83340796
(2R)-N-[2-(4-chlorophenyl)ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 125469715
N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2-ethylbutanamide
CID 108542578
N-[2-(4-chlorophenyl)ethyl]-2-hydroxyacetamide
CID 16769436

Frequently Asked Questions

What is the IUPAC name of (2R)-2-bromo-N-[2-(4-chlorophenyl)ethyl]butanamide?
The IUPAC name of (2R)-2-bromo-N-[2-(4-chlorophenyl)ethyl]butanamide (CID 92864169) is (2R)-2-bromo-N-[2-(4-chlorophenyl)ethyl]butanamide.
What is the SMILES notation for (2R)-2-bromo-N-[2-(4-chlorophenyl)ethyl]butanamide?
The canonical SMILES for (2R)-2-bromo-N-[2-(4-chlorophenyl)ethyl]butanamide is CC[C@@H](Br)C(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-bromo-N-[2-(4-chlorophenyl)ethyl]butanamide?
The InChIKey is JNMRCPQSIPYFNI-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15BrClNO/c1-2-11(13)12(16)15-8-7-9-3-5-10(14)6-4-9/h3-6,11H,2,7-8H2,1H3,(H,15,16)/t11-/m1/s1.
What are the key properties of (2R)-2-bromo-N-[2-(4-chlorophenyl)ethyl]butanamide?
(2R)-2-bromo-N-[2-(4-chlorophenyl)ethyl]butanamide has a molecular weight of 304.62 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-bromo-N-[2-(4-chlorophenyl)ethyl]butanamide is sourced from PubChem (CID 92864169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).