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

C12H15BrClNO2 — CID 113258679

IUPAC4-bromo-2-chloro-N-(2-hydroxypentyl)benzamide
SMILESCCCC(O)CNC(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H15BrClNO2/c1-2-3-9(16)7-15-12(17)10-5-4-8(13)6-11(10)14/h4-6,9,16H,2-3,7H2,1H3,(H,15,17)
InChIKeySSRQQECITJFDCO-UHFFFAOYSA-N
MW320.61 g/mol
LogP2.99
Rot. Bonds5

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

4-bromo-2-chloro-N-(2-hydroxypentyl)benzamide (PubChem CID 113258679) has the molecular formula C12H15BrClNO2 and a molecular weight of 320.61 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(2-hydroxypentyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(2-hydroxypentyl)benzamide
PubChem CID113258679
Molecular FormulaC12H15BrClNO2
Molecular Weight320.61 g/mol
Exact Mass319.00
IUPAC Name4-bromo-2-chloro-N-(2-hydroxypentyl)benzamide
SMILESCCCC(O)CNC(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H15BrClNO2/c1-2-3-9(16)7-15-12(17)10-5-4-8(13)6-11(10)14/h4-6,9,16H,2-3,7H2,1H3,(H,15,17)
InChIKeySSRQQECITJFDCO-UHFFFAOYSA-N
XLogP2.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.61
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4-bromo-N-(2-hydroxypentyl)benzamide
CID 113495833
(2S)-3-[(4-bromo-2-chlorobenzoyl)amino]-2-hydroxypropanoic acid
CID 107833572
4-bromo-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102914681
4-bromo-2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 113248495
5-bromo-N-(2-hydroxypentyl)pyridine-2-carboxamide
CID 115700916
3,5-dibromo-N-(2-hydroxypentyl)benzamide
CID 103909287
2,4-dibromo-N-(2-chloropentyl)benzamide
CID 107941412
4-chloro-2,5-difluoro-N-(2-hydroxypentyl)benzamide
CID 115869290
(2S)-4-[(4-bromo-2-chlorobenzoyl)amino]-2-hydroxybutanoic acid
CID 114006650
2-[[(2-chloro-4-methylbenzoyl)amino]methyl]pentanoic acid
CID 106860607
4-bromo-N-(5-bromo-4-methylpentyl)-2-chlorobenzamide
CID 114151560
2-chloro-N-[2-(2-hydroxyethyl)pentyl]-4-methylbenzamide
CID 106509848

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(2-hydroxypentyl)benzamide?
The IUPAC name of 4-bromo-2-chloro-N-(2-hydroxypentyl)benzamide (CID 113258679) is 4-bromo-2-chloro-N-(2-hydroxypentyl)benzamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(2-hydroxypentyl)benzamide?
The canonical SMILES for 4-bromo-2-chloro-N-(2-hydroxypentyl)benzamide is CCCC(O)CNC(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(2-hydroxypentyl)benzamide?
The InChIKey is SSRQQECITJFDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO2/c1-2-3-9(16)7-15-12(17)10-5-4-8(13)6-11(10)14/h4-6,9,16H,2-3,7H2,1H3,(H,15,17).
What are the key properties of 4-bromo-2-chloro-N-(2-hydroxypentyl)benzamide?
4-bromo-2-chloro-N-(2-hydroxypentyl)benzamide has a molecular weight of 320.61 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(2-hydroxypentyl)benzamide is sourced from PubChem (CID 113258679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).