2-chloro-4,5-difluoro-N-(4-hydroxy-2,2-dimethylpentyl)benzamide

C14H18ClF2NO2 — CID 111480490

IUPAC2-chloro-4,5-difluoro-N-(4-hydroxy-2,2-dimethylpentyl)benzamide
SMILESCC(O)CC(C)(C)CNC(=O)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C14H18ClF2NO2/c1-8(19)6-14(2,3)7-18-13(20)9-4-11(16)12(17)5-10(9)15/h4-5,8,19H,6-7H2,1-3H3,(H,18,20)
InChIKeyITLDVHFPOZKGQO-UHFFFAOYSA-N
MW305.75 g/mol
LogP3.15
Rot. Bonds5

About 2-chloro-4,5-difluoro-N-(4-hydroxy-2,2-dimethylpentyl)benzamide

2-chloro-4,5-difluoro-N-(4-hydroxy-2,2-dimethylpentyl)benzamide (PubChem CID 111480490) has the molecular formula C14H18ClF2NO2 and a molecular weight of 305.75 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-(4-hydroxy-2,2-dimethylpentyl)benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-(4-hydroxy-2,2-dimethylpentyl)benzamide
PubChem CID111480490
Molecular FormulaC14H18ClF2NO2
Molecular Weight305.75 g/mol
Exact Mass305.10
IUPAC Name2-chloro-4,5-difluoro-N-(4-hydroxy-2,2-dimethylpentyl)benzamide
SMILESCC(O)CC(C)(C)CNC(=O)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C14H18ClF2NO2/c1-8(19)6-14(2,3)7-18-13(20)9-4-11(16)12(17)5-10(9)15/h4-5,8,19H,6-7H2,1-3H3,(H,18,20)
InChIKeyITLDVHFPOZKGQO-UHFFFAOYSA-N
XLogP3.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.75
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,5-difluoro-N-(4-hydroxy-2,2-dimethylpentyl)benzamide
CID 111479742
N-(3-bromo-2,2-dimethylpropyl)-4-chloro-2,5-difluorobenzamide
CID 82773293
2-chloro-4,5-difluoro-N-(4-hydroxypentan-2-yl)benzamide
CID 113376554
4-chloro-5-(2,2-dimethylpropylcarbamoyl)-2-fluorobenzenesulfonyl chloride
CID 65370403
2,4-dichloro-5-fluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 103899579
4-chloro-2,5-difluoro-N-(2-hydroxypropyl)benzamide
CID 82771930
1-(4-hydroxy-2,2-dimethylpentyl)-3-(3,4,5-trifluorophenyl)urea
CID 111475074
1-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)-2,5-dimethylpyrrole-3-carboxamide
CID 111480378
N-(4-hydroxy-2,2-dimethylpentyl)-2,6-dimethylpyridine-3-carboxamide
CID 111480117
1-(2-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)-5-methylpyrazole-4-carboxamide
CID 111480283
5-chloro-N-(4-hydroxy-2,2-dimethylpentyl)furan-2-carboxamide
CID 111480015
3,5-dichloro-N-(4-hydroxy-2,2-dimethylpentyl)-1H-indole-2-carboxamide
CID 111520117

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-(4-hydroxy-2,2-dimethylpentyl)benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-(4-hydroxy-2,2-dimethylpentyl)benzamide (CID 111480490) is 2-chloro-4,5-difluoro-N-(4-hydroxy-2,2-dimethylpentyl)benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-(4-hydroxy-2,2-dimethylpentyl)benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-(4-hydroxy-2,2-dimethylpentyl)benzamide is CC(O)CC(C)(C)CNC(=O)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-chloro-4,5-difluoro-N-(4-hydroxy-2,2-dimethylpentyl)benzamide?
The InChIKey is ITLDVHFPOZKGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF2NO2/c1-8(19)6-14(2,3)7-18-13(20)9-4-11(16)12(17)5-10(9)15/h4-5,8,19H,6-7H2,1-3H3,(H,18,20).
What are the key properties of 2-chloro-4,5-difluoro-N-(4-hydroxy-2,2-dimethylpentyl)benzamide?
2-chloro-4,5-difluoro-N-(4-hydroxy-2,2-dimethylpentyl)benzamide has a molecular weight of 305.75 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-(4-hydroxy-2,2-dimethylpentyl)benzamide is sourced from PubChem (CID 111480490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).