2,4-dibromo-N-(1-chloro-4-methylpentan-2-yl)benzamide

C13H16Br2ClNO — CID 107941159

IUPAC2,4-dibromo-N-(1-chloro-4-methylpentan-2-yl)benzamide
SMILESCC(C)CC(CCl)NC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C13H16Br2ClNO/c1-8(2)5-10(7-16)17-13(18)11-4-3-9(14)6-12(11)15/h3-4,6,8,10H,5,7H2,1-2H3,(H,17,18)
InChIKeyPGANWUUJYPQBEC-UHFFFAOYSA-N
MW397.54 g/mol
LogP4.59
Rot. Bonds5

About 2,4-dibromo-N-(1-chloro-4-methylpentan-2-yl)benzamide

2,4-dibromo-N-(1-chloro-4-methylpentan-2-yl)benzamide (PubChem CID 107941159) has the molecular formula C13H16Br2ClNO and a molecular weight of 397.54 g/mol. Its IUPAC name is 2,4-dibromo-N-(1-chloro-4-methylpentan-2-yl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(1-chloro-4-methylpentan-2-yl)benzamide
PubChem CID107941159
Molecular FormulaC13H16Br2ClNO
Molecular Weight397.54 g/mol
Exact Mass394.93
IUPAC Name2,4-dibromo-N-(1-chloro-4-methylpentan-2-yl)benzamide
SMILESCC(C)CC(CCl)NC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C13H16Br2ClNO/c1-8(2)5-10(7-16)17-13(18)11-4-3-9(14)6-12(11)15/h3-4,6,8,10H,5,7H2,1-2H3,(H,17,18)
InChIKeyPGANWUUJYPQBEC-UHFFFAOYSA-N
XLogP4.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 54.59
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-bromo-N-(1-chloro-4-methylpentan-2-yl)-4-fluorobenzamide
CID 114300908
3-[(2,4-dibromobenzoyl)amino]butanoic acid
CID 107937736
(2S)-2-[(2,4-dibromobenzoyl)amino]propanoic acid
CID 107937824
N-(1-chloro-4-methylpentan-2-yl)-2,5-difluorobenzamide
CID 113272540
N-(1-chloro-4-methylpentan-2-yl)-2-iodobenzamide
CID 114300843
2,5-dibromo-N-(1-chloro-3-methoxypropan-2-yl)benzamide
CID 106182630
2-(3-bromophenyl)-N-(1-chloro-4-methylpentan-2-yl)acetamide
CID 113272495
N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-hydroxybenzamide
CID 104872326
methyl (2S)-2-[(2,4-dibromobenzoyl)amino]propanoate
CID 103882309
2,4-dibromo-N-heptan-2-ylbenzamide
CID 114019926
N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-iodobenzamide
CID 113265743
2-chloro-N-(1-chloro-4-methylpentan-2-yl)-5-methylsulfanylbenzamide
CID 113272456

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(1-chloro-4-methylpentan-2-yl)benzamide?
The IUPAC name of 2,4-dibromo-N-(1-chloro-4-methylpentan-2-yl)benzamide (CID 107941159) is 2,4-dibromo-N-(1-chloro-4-methylpentan-2-yl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(1-chloro-4-methylpentan-2-yl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(1-chloro-4-methylpentan-2-yl)benzamide is CC(C)CC(CCl)NC(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(1-chloro-4-methylpentan-2-yl)benzamide?
The InChIKey is PGANWUUJYPQBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br2ClNO/c1-8(2)5-10(7-16)17-13(18)11-4-3-9(14)6-12(11)15/h3-4,6,8,10H,5,7H2,1-2H3,(H,17,18).
What are the key properties of 2,4-dibromo-N-(1-chloro-4-methylpentan-2-yl)benzamide?
2,4-dibromo-N-(1-chloro-4-methylpentan-2-yl)benzamide has a molecular weight of 397.54 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(1-chloro-4-methylpentan-2-yl)benzamide is sourced from PubChem (CID 107941159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).