4-bromo-N-(3-chlorobutan-2-yl)benzamide

C11H13BrClNO — CID 131162953

IUPAC4-bromo-N-(3-chlorobutan-2-yl)benzamide
SMILESCC(Cl)C(C)NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H13BrClNO/c1-7(13)8(2)14-11(15)9-3-5-10(12)6-4-9/h3-8H,1-2H3,(H,14,15)
InChIKeyHFMPUVSAODUZMZ-UHFFFAOYSA-N
MW290.59 g/mol
LogP3.19
Rot. Bonds3

About 4-bromo-N-(3-chlorobutan-2-yl)benzamide

4-bromo-N-(3-chlorobutan-2-yl)benzamide (PubChem CID 131162953) has the molecular formula C11H13BrClNO and a molecular weight of 290.59 g/mol. Its IUPAC name is 4-bromo-N-(3-chlorobutan-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(3-chlorobutan-2-yl)benzamide
PubChem CID131162953
Molecular FormulaC11H13BrClNO
Molecular Weight290.59 g/mol
Exact Mass288.99
IUPAC Name4-bromo-N-(3-chlorobutan-2-yl)benzamide
SMILESCC(Cl)C(C)NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H13BrClNO/c1-7(13)8(2)14-11(15)9-3-5-10(12)6-4-9/h3-8H,1-2H3,(H,14,15)
InChIKeyHFMPUVSAODUZMZ-UHFFFAOYSA-N
XLogP3.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.59
LogP ≤ 53.19
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

N-(3-chlorobutan-2-yl)-4-methylbenzamide
CID 130948827
4-bromo-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 40522020
4-bromo-N-(3-ethylpentan-2-yl)benzamide
CID 55260581
methyl 2-[(4-bromobenzoyl)amino]propanoate
CID 531405
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 7733481
4-acetyl-N-(3-methylbutan-2-yl)benzamide
CID 18712014
2-oxopropyl (2S)-2-[(4-bromobenzoyl)amino]propanoate
CID 8880148
4-bromo-N-[(1R,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]benzamide
CID 96525554
4-chloro-N-(3-methylbutan-2-yl)benzamide
CID 4263927
4-bromo-N-(2-oxopropyl)benzamide
CID 64997331
4-bromo-N-(1,2,2-trifluoroethyl)benzamide
CID 175507232
ethyl 2-[(4-bromobenzoyl)amino]propanoate
CID 19166830

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-chlorobutan-2-yl)benzamide?
The IUPAC name of 4-bromo-N-(3-chlorobutan-2-yl)benzamide (CID 131162953) is 4-bromo-N-(3-chlorobutan-2-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(3-chlorobutan-2-yl)benzamide?
The canonical SMILES for 4-bromo-N-(3-chlorobutan-2-yl)benzamide is CC(Cl)C(C)NC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(3-chlorobutan-2-yl)benzamide?
The InChIKey is HFMPUVSAODUZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO/c1-7(13)8(2)14-11(15)9-3-5-10(12)6-4-9/h3-8H,1-2H3,(H,14,15).
What are the key properties of 4-bromo-N-(3-chlorobutan-2-yl)benzamide?
4-bromo-N-(3-chlorobutan-2-yl)benzamide has a molecular weight of 290.59 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-chlorobutan-2-yl)benzamide is sourced from PubChem (CID 131162953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).