3-bromo-4-chloro-N-(5-chloropentan-2-yl)benzamide

C12H14BrCl2NO — CID 107993905

IUPAC3-bromo-4-chloro-N-(5-chloropentan-2-yl)benzamide
SMILESCC(CCCCl)NC(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H14BrCl2NO/c1-8(3-2-6-14)16-12(17)9-4-5-11(15)10(13)7-9/h4-5,7-8H,2-3,6H2,1H3,(H,16,17)
InChIKeyASFQHAAYPRMJRC-UHFFFAOYSA-N
MW339.06 g/mol
LogP4.24
Rot. Bonds5

About 3-bromo-4-chloro-N-(5-chloropentan-2-yl)benzamide

3-bromo-4-chloro-N-(5-chloropentan-2-yl)benzamide (PubChem CID 107993905) has the molecular formula C12H14BrCl2NO and a molecular weight of 339.06 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(5-chloropentan-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(5-chloropentan-2-yl)benzamide
PubChem CID107993905
Molecular FormulaC12H14BrCl2NO
Molecular Weight339.06 g/mol
Exact Mass336.96
IUPAC Name3-bromo-4-chloro-N-(5-chloropentan-2-yl)benzamide
SMILESCC(CCCCl)NC(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C12H14BrCl2NO/c1-8(3-2-6-14)16-12(17)9-4-5-11(15)10(13)7-9/h4-5,7-8H,2-3,6H2,1H3,(H,16,17)
InChIKeyASFQHAAYPRMJRC-UHFFFAOYSA-N
XLogP4.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.06
LogP ≤ 54.24
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

3-bromo-4-chloro-N-(1-chloropropan-2-yl)benzamide
CID 107993829
3-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide
CID 103842962
3-bromo-N-(5-chloropentan-2-yl)-4-fluorobenzamide
CID 107956695
3-chloro-N-(5-chloropentan-2-yl)-4-methylbenzamide
CID 114305932
3-bromo-4-chloro-N-[1-(dimethylamino)propan-2-yl]benzamide
CID 107999622
3-bromo-4-chloro-N-(4,4,4-trifluorobutan-2-yl)benzamide
CID 104854902
3-chloro-N-(5-chloropentan-2-yl)benzamide
CID 114305976
3-bromo-4-chloro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 107999462
3,5-dichloro-N-(5-chloropentan-2-yl)benzamide
CID 114305934
3-bromo-4-chloro-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide
CID 107999560
(2R)-2-[(3-bromo-4-chlorobenzoyl)amino]-3-methylbutanoic acid
CID 107997954
(2S)-2-[(3-bromo-4-chlorobenzoyl)amino]-4-methylpentanoic acid
CID 114025710

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(5-chloropentan-2-yl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-(5-chloropentan-2-yl)benzamide (CID 107993905) is 3-bromo-4-chloro-N-(5-chloropentan-2-yl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(5-chloropentan-2-yl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-(5-chloropentan-2-yl)benzamide is CC(CCCCl)NC(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(5-chloropentan-2-yl)benzamide?
The InChIKey is ASFQHAAYPRMJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrCl2NO/c1-8(3-2-6-14)16-12(17)9-4-5-11(15)10(13)7-9/h4-5,7-8H,2-3,6H2,1H3,(H,16,17).
What are the key properties of 3-bromo-4-chloro-N-(5-chloropentan-2-yl)benzamide?
3-bromo-4-chloro-N-(5-chloropentan-2-yl)benzamide has a molecular weight of 339.06 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(5-chloropentan-2-yl)benzamide is sourced from PubChem (CID 107993905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).