3-bromo-2-chloro-N-(2-hydroxy-4,4-dimethylpentyl)benzamide

C14H19BrClNO2 — CID 113363834

IUPAC3-bromo-2-chloro-N-(2-hydroxy-4,4-dimethylpentyl)benzamide
SMILESCC(C)(C)CC(O)CNC(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C14H19BrClNO2/c1-14(2,3)7-9(18)8-17-13(19)10-5-4-6-11(15)12(10)16/h4-6,9,18H,7-8H2,1-3H3,(H,17,19)
InChIKeyIJHUYNXEYUYWFQ-UHFFFAOYSA-N
MW348.67 g/mol
LogP3.63
Rot. Bonds4

About 3-bromo-2-chloro-N-(2-hydroxy-4,4-dimethylpentyl)benzamide

3-bromo-2-chloro-N-(2-hydroxy-4,4-dimethylpentyl)benzamide (PubChem CID 113363834) has the molecular formula C14H19BrClNO2 and a molecular weight of 348.67 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-(2-hydroxy-4,4-dimethylpentyl)benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-(2-hydroxy-4,4-dimethylpentyl)benzamide
PubChem CID113363834
Molecular FormulaC14H19BrClNO2
Molecular Weight348.67 g/mol
Exact Mass347.03
IUPAC Name3-bromo-2-chloro-N-(2-hydroxy-4,4-dimethylpentyl)benzamide
SMILESCC(C)(C)CC(O)CNC(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C14H19BrClNO2/c1-14(2,3)7-9(18)8-17-13(19)10-5-4-6-11(15)12(10)16/h4-6,9,18H,7-8H2,1-3H3,(H,17,19)
InChIKeyIJHUYNXEYUYWFQ-UHFFFAOYSA-N
XLogP3.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.67
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-[(3-bromo-2-chlorobenzoyl)amino]-2-hydroxypropanoic acid
CID 107833301
3-bromo-2-chloro-N-(2,2-dimethylbutyl)benzamide
CID 103461936
3-bromo-2-chloro-N-(2-hydroxy-2-methylpentyl)benzamide
CID 113363841
3-bromo-2-chloro-N-(2,2-dicyclopropylethyl)benzamide
CID 103990086
3-bromo-2-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]benzamide
CID 103992187
3-bromo-2-chloro-N-(2-hydroxyethyl)benzamide
CID 103993764
3-chloro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide
CID 103714844
2-[(3-bromo-2-chlorobenzoyl)amino]-2-methylbutanoic acid
CID 113402877
4-[(3-bromo-2-chlorobenzoyl)amino]-2-hydroxybutanoic acid
CID 114006274
3-bromo-2-chloro-N-hexylbenzamide
CID 103975214
2-chloro-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide
CID 83030652
3-bromo-2-chloro-N-(4-hydroxybutyl)benzamide
CID 106842310

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-(2-hydroxy-4,4-dimethylpentyl)benzamide?
The IUPAC name of 3-bromo-2-chloro-N-(2-hydroxy-4,4-dimethylpentyl)benzamide (CID 113363834) is 3-bromo-2-chloro-N-(2-hydroxy-4,4-dimethylpentyl)benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-(2-hydroxy-4,4-dimethylpentyl)benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-(2-hydroxy-4,4-dimethylpentyl)benzamide is CC(C)(C)CC(O)CNC(=O)c1cccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-N-(2-hydroxy-4,4-dimethylpentyl)benzamide?
The InChIKey is IJHUYNXEYUYWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO2/c1-14(2,3)7-9(18)8-17-13(19)10-5-4-6-11(15)12(10)16/h4-6,9,18H,7-8H2,1-3H3,(H,17,19).
What are the key properties of 3-bromo-2-chloro-N-(2-hydroxy-4,4-dimethylpentyl)benzamide?
3-bromo-2-chloro-N-(2-hydroxy-4,4-dimethylpentyl)benzamide has a molecular weight of 348.67 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-N-(2-hydroxy-4,4-dimethylpentyl)benzamide is sourced from PubChem (CID 113363834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).