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

C11H12Br2ClNO2 — CID 106182630

IUPAC2,5-dibromo-N-(1-chloro-3-methoxypropan-2-yl)benzamide
SMILESCOCC(CCl)NC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C11H12Br2ClNO2/c1-17-6-8(5-14)15-11(16)9-4-7(12)2-3-10(9)13/h2-4,8H,5-6H2,1H3,(H,15,16)
InChIKeyIKXDVTYHFUHQDR-UHFFFAOYSA-N
MW385.48 g/mol
LogP3.20
Rot. Bonds5

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

2,5-dibromo-N-(1-chloro-3-methoxypropan-2-yl)benzamide (PubChem CID 106182630) has the molecular formula C11H12Br2ClNO2 and a molecular weight of 385.48 g/mol. Its IUPAC name is 2,5-dibromo-N-(1-chloro-3-methoxypropan-2-yl)benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-(1-chloro-3-methoxypropan-2-yl)benzamide
PubChem CID106182630
Molecular FormulaC11H12Br2ClNO2
Molecular Weight385.48 g/mol
Exact Mass382.89
IUPAC Name2,5-dibromo-N-(1-chloro-3-methoxypropan-2-yl)benzamide
SMILESCOCC(CCl)NC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C11H12Br2ClNO2/c1-17-6-8(5-14)15-11(16)9-4-7(12)2-3-10(9)13/h2-4,8H,5-6H2,1H3,(H,15,16)
InChIKeyIKXDVTYHFUHQDR-UHFFFAOYSA-N
XLogP3.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(1-chloro-3-methoxypropan-2-yl)-2-methoxybenzamide
CID 114155070
5-bromo-N-(4-chloro-1-methoxybutan-2-yl)-2-hydroxybenzamide
CID 106155756
3-bromo-N-(1-chloro-3-methoxypropan-2-yl)-2-methylbenzamide
CID 106182197
2-chloro-N-(1-chloro-3-methoxypropan-2-yl)-4-methylbenzamide
CID 106183345
5-bromo-N-(1-methoxybutan-2-yl)-2-methylbenzamide
CID 65311170
2-bromo-N-(4-hydroxy-1-methoxybutan-2-yl)-5-sulfanylbenzamide
CID 106162864
2,5-dichloro-N-(1-chloro-3-methoxypropan-2-yl)benzamide
CID 106183423
2,5-dibromo-N-(1-hydroxybutan-2-yl)benzamide
CID 114371947
N-(1-chloro-3-methoxypropan-2-yl)-2-hydroxy-4-methylbenzamide
CID 106183449
N-(1-chloro-3-methoxypropan-2-yl)-5-fluoro-2-methylbenzamide
CID 106182347
2,4-dibromo-N-(1-chloro-4-methylpentan-2-yl)benzamide
CID 107941159
2,5-dibromo-N-(1-chloro-4-methylpentan-3-yl)benzamide
CID 106354942

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(1-chloro-3-methoxypropan-2-yl)benzamide?
The IUPAC name of 2,5-dibromo-N-(1-chloro-3-methoxypropan-2-yl)benzamide (CID 106182630) is 2,5-dibromo-N-(1-chloro-3-methoxypropan-2-yl)benzamide.
What is the SMILES notation for 2,5-dibromo-N-(1-chloro-3-methoxypropan-2-yl)benzamide?
The canonical SMILES for 2,5-dibromo-N-(1-chloro-3-methoxypropan-2-yl)benzamide is COCC(CCl)NC(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-(1-chloro-3-methoxypropan-2-yl)benzamide?
The InChIKey is IKXDVTYHFUHQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2ClNO2/c1-17-6-8(5-14)15-11(16)9-4-7(12)2-3-10(9)13/h2-4,8H,5-6H2,1H3,(H,15,16).
What are the key properties of 2,5-dibromo-N-(1-chloro-3-methoxypropan-2-yl)benzamide?
2,5-dibromo-N-(1-chloro-3-methoxypropan-2-yl)benzamide has a molecular weight of 385.48 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(1-chloro-3-methoxypropan-2-yl)benzamide is sourced from PubChem (CID 106182630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).