2-bromo-N-(3-methoxyphenyl)butanamide

C11H14BrNO2 — CID 50742538

IUPAC2-bromo-N-(3-methoxyphenyl)butanamide
SMILESCCC(Br)C(=O)Nc1cccc(OC)c1
InChIInChI=1S/C11H14BrNO2/c1-3-10(12)11(14)13-8-5-4-6-9(7-8)15-2/h4-7,10H,3H2,1-2H3,(H,13,14)
InChIKeyPNXMUVDPEHHRLV-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.81
Rot. Bonds4

About 2-bromo-N-(3-methoxyphenyl)butanamide

2-bromo-N-(3-methoxyphenyl)butanamide (PubChem CID 50742538) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 2-bromo-N-(3-methoxyphenyl)butanamide.

Molecular Properties

Compound Name2-bromo-N-(3-methoxyphenyl)butanamide
PubChem CID50742538
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name2-bromo-N-(3-methoxyphenyl)butanamide
SMILESCCC(Br)C(=O)Nc1cccc(OC)c1
InChIInChI=1S/C11H14BrNO2/c1-3-10(12)11(14)13-8-5-4-6-9(7-8)15-2/h4-7,10H,3H2,1-2H3,(H,13,14)
InChIKeyPNXMUVDPEHHRLV-UHFFFAOYSA-N
XLogP2.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]butanamide
CID 62855576
N-(3-methoxyphenyl)-2-phenoxybutanamide
CID 3831473
2,2-dichloro-N-(3-methoxyphenyl)acetamide
CID 5097021
2-hydroxy-N-(3-methoxyphenyl)propanamide
CID 82125804
3-(2-bromobutanoylamino)benzoic acid
CID 62854835
N'-butan-2-yl-N-(3-methoxyphenyl)oxamide
CID 44999404
(2S)-2-chloro-N-(3-methoxyphenyl)propanamide
CID 6591303
2-ethyl-N-[4-(3-methoxyanilino)phenyl]butanamide
CID 112987415
(2S)-N-(3-ethoxyphenyl)-2-(3-methoxyphenoxy)butanamide
CID 94027504
N-(3-methoxyphenyl)-2-phenylsulfanylbutanamide
CID 23886285
(2R)-N-(3-methoxyphenyl)-2-naphthalen-2-yloxybutanamide
CID 38010628
(2R)-2-(4-ethylphenoxy)-N-(3-methoxyphenyl)butanamide
CID 99132919

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-methoxyphenyl)butanamide?
The IUPAC name of 2-bromo-N-(3-methoxyphenyl)butanamide (CID 50742538) is 2-bromo-N-(3-methoxyphenyl)butanamide.
What is the SMILES notation for 2-bromo-N-(3-methoxyphenyl)butanamide?
The canonical SMILES for 2-bromo-N-(3-methoxyphenyl)butanamide is CCC(Br)C(=O)Nc1cccc(OC)c1.
What is the InChIKey of 2-bromo-N-(3-methoxyphenyl)butanamide?
The InChIKey is PNXMUVDPEHHRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-3-10(12)11(14)13-8-5-4-6-9(7-8)15-2/h4-7,10H,3H2,1-2H3,(H,13,14).
What are the key properties of 2-bromo-N-(3-methoxyphenyl)butanamide?
2-bromo-N-(3-methoxyphenyl)butanamide has a molecular weight of 272.14 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-methoxyphenyl)butanamide is sourced from PubChem (CID 50742538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).