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

C13H16ClF2NO3 — CID 103873644

IUPAC4-chloro-2,5-difluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
SMILESCOCCC(C)(O)CNC(=O)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C13H16ClF2NO3/c1-13(19,3-4-20-2)7-17-12(18)8-5-11(16)9(14)6-10(8)15/h5-6,19H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyHNZBWCFIXRLCMZ-UHFFFAOYSA-N
MW307.72 g/mol
LogP2.14
Rot. Bonds6

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

4-chloro-2,5-difluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide (PubChem CID 103873644) has the molecular formula C13H16ClF2NO3 and a molecular weight of 307.72 g/mol. Its IUPAC name is 4-chloro-2,5-difluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide.

Molecular Properties

Compound Name4-chloro-2,5-difluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
PubChem CID103873644
Molecular FormulaC13H16ClF2NO3
Molecular Weight307.72 g/mol
Exact Mass307.08
IUPAC Name4-chloro-2,5-difluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
SMILESCOCCC(C)(O)CNC(=O)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C13H16ClF2NO3/c1-13(19,3-4-20-2)7-17-12(18)8-5-11(16)9(14)6-10(8)15/h5-6,19H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyHNZBWCFIXRLCMZ-UHFFFAOYSA-N
XLogP2.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.72
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromo-2,2-dimethylpropyl)-4-chloro-2,5-difluorobenzamide
CID 82773293
3-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methylbenzamide
CID 103712284
4-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103712736
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,5-dimethylbenzamide
CID 103712693
2,4-dichloro-5-fluoro-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 103899579
4-chloro-2,5-difluoro-N-(2-oxopropyl)benzamide
CID 82772458
N-(2-hydroxy-4-methoxy-2-methylbutyl)-3,5-dimethylbenzamide
CID 103712743
2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 106249207
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-iodobenzamide
CID 103712714
4-chloro-2,5-difluoro-N-(2-methylpropyl)benzamide
CID 82772630
ethyl 3-[(4-chloro-2,5-difluorobenzoyl)amino]propanoate
CID 82773162
4-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)pyridine-2-carboxamide
CID 103712367

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-difluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide?
The IUPAC name of 4-chloro-2,5-difluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide (CID 103873644) is 4-chloro-2,5-difluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide.
What is the SMILES notation for 4-chloro-2,5-difluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide?
The canonical SMILES for 4-chloro-2,5-difluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide is COCCC(C)(O)CNC(=O)c1cc(F)c(Cl)cc1F.
What is the InChIKey of 4-chloro-2,5-difluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide?
The InChIKey is HNZBWCFIXRLCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF2NO3/c1-13(19,3-4-20-2)7-17-12(18)8-5-11(16)9(14)6-10(8)15/h5-6,19H,3-4,7H2,1-2H3,(H,17,18).
What are the key properties of 4-chloro-2,5-difluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide?
4-chloro-2,5-difluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide has a molecular weight of 307.72 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-difluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide is sourced from PubChem (CID 103873644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).