2-bromo-N-(4-chloro-2-methylbutyl)benzamide

C12H15BrClNO — CID 114305988

IUPAC2-bromo-N-(4-chloro-2-methylbutyl)benzamide
SMILESCC(CCCl)CNC(=O)c1ccccc1Br
InChIInChI=1S/C12H15BrClNO/c1-9(6-7-14)8-15-12(16)10-4-2-3-5-11(10)13/h2-5,9H,6-8H2,1H3,(H,15,16)
InChIKeyLOIKAXOQWSGEMV-UHFFFAOYSA-N
MW304.61 g/mol
LogP3.44
Rot. Bonds5

About 2-bromo-N-(4-chloro-2-methylbutyl)benzamide

2-bromo-N-(4-chloro-2-methylbutyl)benzamide (PubChem CID 114305988) has the molecular formula C12H15BrClNO and a molecular weight of 304.61 g/mol. Its IUPAC name is 2-bromo-N-(4-chloro-2-methylbutyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(4-chloro-2-methylbutyl)benzamide
PubChem CID114305988
Molecular FormulaC12H15BrClNO
Molecular Weight304.61 g/mol
Exact Mass303.00
IUPAC Name2-bromo-N-(4-chloro-2-methylbutyl)benzamide
SMILESCC(CCCl)CNC(=O)c1ccccc1Br
InChIInChI=1S/C12H15BrClNO/c1-9(6-7-14)8-15-12(16)10-4-2-3-5-11(10)13/h2-5,9H,6-8H2,1H3,(H,15,16)
InChIKeyLOIKAXOQWSGEMV-UHFFFAOYSA-N
XLogP3.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.61
LogP ≤ 53.44
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

2-chloro-N-(4-chloro-2-methylbutyl)benzamide
CID 114306157
N-(4-chloro-2-methylbutyl)-3-hydroxy-2-methylbenzamide
CID 82831055
2-bromo-N-[2-[(4-hydroxy-2-methylbutyl)amino]-2-oxoethyl]benzamide
CID 66108423
2-bromo-N-(2-chloroethyl)benzamide
CID 12793324
2-bromo-N-[2-(dimethylamino)propyl]benzamide
CID 60748459
2-[[(2-bromobenzoyl)amino]methyl]-3-methylbutanoic acid
CID 65219903
3-bromo-N-(4-chloro-2-methylbutyl)-4-methylbenzamide
CID 114306190
N-(4-bromo-2-methylbutyl)-2-hydroxybenzamide
CID 114316832
N-(4-chloro-2-methylbutyl)-2,5-dihydroxybenzamide
CID 107725987
2-bromo-N-(2-chloro-3-methoxypropyl)benzamide
CID 114298631
2-bromo-N-(4-bromopentyl)benzamide
CID 106131142
methyl 3-[(2-bromobenzoyl)amino]-2-hydroxypropanoate
CID 103879318

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-chloro-2-methylbutyl)benzamide?
The IUPAC name of 2-bromo-N-(4-chloro-2-methylbutyl)benzamide (CID 114305988) is 2-bromo-N-(4-chloro-2-methylbutyl)benzamide.
What is the SMILES notation for 2-bromo-N-(4-chloro-2-methylbutyl)benzamide?
The canonical SMILES for 2-bromo-N-(4-chloro-2-methylbutyl)benzamide is CC(CCCl)CNC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(4-chloro-2-methylbutyl)benzamide?
The InChIKey is LOIKAXOQWSGEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO/c1-9(6-7-14)8-15-12(16)10-4-2-3-5-11(10)13/h2-5,9H,6-8H2,1H3,(H,15,16).
What are the key properties of 2-bromo-N-(4-chloro-2-methylbutyl)benzamide?
2-bromo-N-(4-chloro-2-methylbutyl)benzamide has a molecular weight of 304.61 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-chloro-2-methylbutyl)benzamide is sourced from PubChem (CID 114305988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).