2,5-dibromo-N-(1-chloro-4-methylpentan-3-yl)benzamide

C13H16Br2ClNO — CID 106354942

IUPAC2,5-dibromo-N-(1-chloro-4-methylpentan-3-yl)benzamide
SMILESCC(C)C(CCCl)NC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C13H16Br2ClNO/c1-8(2)12(5-6-16)17-13(18)10-7-9(14)3-4-11(10)15/h3-4,7-8,12H,5-6H2,1-2H3,(H,17,18)
InChIKeyLQFPKZQGFUFROH-UHFFFAOYSA-N
MW397.54 g/mol
LogP4.59
Rot. Bonds5

About 2,5-dibromo-N-(1-chloro-4-methylpentan-3-yl)benzamide

2,5-dibromo-N-(1-chloro-4-methylpentan-3-yl)benzamide (PubChem CID 106354942) has the molecular formula C13H16Br2ClNO and a molecular weight of 397.54 g/mol. Its IUPAC name is 2,5-dibromo-N-(1-chloro-4-methylpentan-3-yl)benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-(1-chloro-4-methylpentan-3-yl)benzamide
PubChem CID106354942
Molecular FormulaC13H16Br2ClNO
Molecular Weight397.54 g/mol
Exact Mass394.93
IUPAC Name2,5-dibromo-N-(1-chloro-4-methylpentan-3-yl)benzamide
SMILESCC(C)C(CCCl)NC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C13H16Br2ClNO/c1-8(2)12(5-6-16)17-13(18)10-7-9(14)3-4-11(10)15/h3-4,7-8,12H,5-6H2,1-2H3,(H,17,18)
InChIKeyLQFPKZQGFUFROH-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-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methylbenzamide
CID 81110423
2-bromo-N-(1-bromo-4-methylpentan-3-yl)-5-iodobenzamide
CID 106355270
N-(1-chloro-4-methylpentan-3-yl)-2,4-dimethylbenzamide
CID 114177660
N-(1-chloro-4-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide
CID 114177673
N-(1-chloro-4-methylpentan-3-yl)-2,4-dihydroxybenzamide
CID 106354678
N-(1-amino-3-methylbutan-2-yl)-2-bromo-5-methylbenzamide
CID 81111788
N-(1-chloro-4-methylpentan-3-yl)-2,4-difluorobenzamide
CID 106354787
3-bromo-N-(1-chloro-4-methylpentan-3-yl)thiophene-2-carboxamide
CID 106354869
methyl 2-[(2,5-dibromobenzoyl)amino]-3-methylbutanoate
CID 114370220
2,5-dichloro-N-(1-chloro-4-methylpentan-3-yl)thiophene-3-carboxamide
CID 106354736
3-chloro-N-(1-chloro-4-methylpentan-3-yl)-2-fluorobenzamide
CID 106354949
2-bromo-N-(1-methoxy-3-methylbutan-2-yl)-5-methylbenzamide
CID 81002971

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(1-chloro-4-methylpentan-3-yl)benzamide?
The IUPAC name of 2,5-dibromo-N-(1-chloro-4-methylpentan-3-yl)benzamide (CID 106354942) is 2,5-dibromo-N-(1-chloro-4-methylpentan-3-yl)benzamide.
What is the SMILES notation for 2,5-dibromo-N-(1-chloro-4-methylpentan-3-yl)benzamide?
The canonical SMILES for 2,5-dibromo-N-(1-chloro-4-methylpentan-3-yl)benzamide is CC(C)C(CCCl)NC(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-(1-chloro-4-methylpentan-3-yl)benzamide?
The InChIKey is LQFPKZQGFUFROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br2ClNO/c1-8(2)12(5-6-16)17-13(18)10-7-9(14)3-4-11(10)15/h3-4,7-8,12H,5-6H2,1-2H3,(H,17,18).
What are the key properties of 2,5-dibromo-N-(1-chloro-4-methylpentan-3-yl)benzamide?
2,5-dibromo-N-(1-chloro-4-methylpentan-3-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 2,5-dibromo-N-(1-chloro-4-methylpentan-3-yl)benzamide is sourced from PubChem (CID 106354942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).