4-chloro-2,5-difluoro-N-(2-hydroxypentyl)benzamide

C12H14ClF2NO2 — CID 115869290

IUPAC4-chloro-2,5-difluoro-N-(2-hydroxypentyl)benzamide
SMILESCCCC(O)CNC(=O)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C12H14ClF2NO2/c1-2-3-7(17)6-16-12(18)8-4-11(15)9(13)5-10(8)14/h4-5,7,17H,2-3,6H2,1H3,(H,16,18)
InChIKeyABMVKNLOEFLGCX-UHFFFAOYSA-N
MW277.70 g/mol
LogP2.51
Rot. Bonds5

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

4-chloro-2,5-difluoro-N-(2-hydroxypentyl)benzamide (PubChem CID 115869290) has the molecular formula C12H14ClF2NO2 and a molecular weight of 277.70 g/mol. Its IUPAC name is 4-chloro-2,5-difluoro-N-(2-hydroxypentyl)benzamide.

Molecular Properties

Compound Name4-chloro-2,5-difluoro-N-(2-hydroxypentyl)benzamide
PubChem CID115869290
Molecular FormulaC12H14ClF2NO2
Molecular Weight277.70 g/mol
Exact Mass277.07
IUPAC Name4-chloro-2,5-difluoro-N-(2-hydroxypentyl)benzamide
SMILESCCCC(O)CNC(=O)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C12H14ClF2NO2/c1-2-3-7(17)6-16-12(18)8-4-11(15)9(13)5-10(8)14/h4-5,7,17H,2-3,6H2,1H3,(H,16,18)
InChIKeyABMVKNLOEFLGCX-UHFFFAOYSA-N
XLogP2.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.70
LogP ≤ 52.51
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

4-chloro-2,5-difluoro-N-(2-hydroxypropyl)benzamide
CID 82771930
4-chloro-2,5-difluoro-N-(2-methylpropyl)benzamide
CID 82772630
N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2,5-difluorobenzamide
CID 106165772
4-[(4-chloro-2,5-difluorobenzoyl)amino]-3-methylbutanoic acid
CID 82782525
4-bromo-2-chloro-N-(2-hydroxypentyl)benzamide
CID 113258679
4-chloro-2,5-difluoro-N-(2-oxopropyl)benzamide
CID 82772458
N-(3-bromo-2,2-dimethylpropyl)-4-chloro-2,5-difluorobenzamide
CID 82773293
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-chloro-2,5-difluorobenzamide
CID 82772683
2,4-dichloro-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102914643
2,4-dichloro-N-ethyl-5-fluorobenzamide
CID 60664980
N-(5-bromo-4-methylpentyl)-4-chloro-2,5-difluorobenzamide
CID 106157596
2,4-dichloro-5-fluoro-N-(2-hydroxy-3-phenylpropyl)benzamide
CID 111102414

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-difluoro-N-(2-hydroxypentyl)benzamide?
The IUPAC name of 4-chloro-2,5-difluoro-N-(2-hydroxypentyl)benzamide (CID 115869290) is 4-chloro-2,5-difluoro-N-(2-hydroxypentyl)benzamide.
What is the SMILES notation for 4-chloro-2,5-difluoro-N-(2-hydroxypentyl)benzamide?
The canonical SMILES for 4-chloro-2,5-difluoro-N-(2-hydroxypentyl)benzamide is CCCC(O)CNC(=O)c1cc(F)c(Cl)cc1F.
What is the InChIKey of 4-chloro-2,5-difluoro-N-(2-hydroxypentyl)benzamide?
The InChIKey is ABMVKNLOEFLGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2NO2/c1-2-3-7(17)6-16-12(18)8-4-11(15)9(13)5-10(8)14/h4-5,7,17H,2-3,6H2,1H3,(H,16,18).
What are the key properties of 4-chloro-2,5-difluoro-N-(2-hydroxypentyl)benzamide?
4-chloro-2,5-difluoro-N-(2-hydroxypentyl)benzamide has a molecular weight of 277.70 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-difluoro-N-(2-hydroxypentyl)benzamide is sourced from PubChem (CID 115869290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).