4-chloro-2,5-difluoro-N-(1,1,1-trifluoropropan-2-yl)benzamide

C10H7ClF5NO — CID 175078234

IUPAC4-chloro-2,5-difluoro-N-(1,1,1-trifluoropropan-2-yl)benzamide
SMILESCC(NC(=O)c1cc(F)c(Cl)cc1F)C(F)(F)F
InChIInChI=1S/C10H7ClF5NO/c1-4(10(14,15)16)17-9(18)5-2-8(13)6(11)3-7(5)12/h2-4H,1H3,(H,17,18)
InChIKeyFGWQQQAITPDCPA-UHFFFAOYSA-N
MW287.62 g/mol
LogP3.30
Rot. Bonds2

About 4-chloro-2,5-difluoro-N-(1,1,1-trifluoropropan-2-yl)benzamide

4-chloro-2,5-difluoro-N-(1,1,1-trifluoropropan-2-yl)benzamide (PubChem CID 175078234) has the molecular formula C10H7ClF5NO and a molecular weight of 287.62 g/mol. Its IUPAC name is 4-chloro-2,5-difluoro-N-(1,1,1-trifluoropropan-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-2,5-difluoro-N-(1,1,1-trifluoropropan-2-yl)benzamide
PubChem CID175078234
Molecular FormulaC10H7ClF5NO
Molecular Weight287.62 g/mol
Exact Mass287.01
IUPAC Name4-chloro-2,5-difluoro-N-(1,1,1-trifluoropropan-2-yl)benzamide
SMILESCC(NC(=O)c1cc(F)c(Cl)cc1F)C(F)(F)F
InChIInChI=1S/C10H7ClF5NO/c1-4(10(14,15)16)17-9(18)5-2-8(13)6(11)3-7(5)12/h2-4H,1H3,(H,17,18)
InChIKeyFGWQQQAITPDCPA-UHFFFAOYSA-N
XLogP3.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.62
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-amino-1-oxopropan-2-yl]-4-chloro-2,5-difluorobenzamide
CID 86785546
4-chloro-2,5-difluoro-N-(2-methylpropyl)benzamide
CID 82772630
4-chloro-N-(1-chlorobutan-2-yl)-2,5-difluorobenzamide
CID 82771853
4-chloro-2,5-difluoro-N-(2-hydroxypropyl)benzamide
CID 82771930
2,5-difluoro-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide;sulfuric acid
CID 175748507
4-[(4-chloro-2,5-difluorobenzoyl)amino]-3-methylbutanoic acid
CID 82782525
4-chloro-N-[3-(chloromethyl)pentan-3-yl]-2,5-difluorobenzamide
CID 82771535
4-chloro-2,5-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 82771628
4-chloro-N-(4-chloro-1-methoxybutan-2-yl)-2,5-difluorobenzamide
CID 106155438
4-chloro-2,5-difluoro-N-(2-oxopropyl)benzamide
CID 82772458
N-(3-bromo-2,2-dimethylpropyl)-4-chloro-2,5-difluorobenzamide
CID 82773293
4-chloro-2,5-difluoro-N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]benzamide
CID 122147380

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-difluoro-N-(1,1,1-trifluoropropan-2-yl)benzamide?
The IUPAC name of 4-chloro-2,5-difluoro-N-(1,1,1-trifluoropropan-2-yl)benzamide (CID 175078234) is 4-chloro-2,5-difluoro-N-(1,1,1-trifluoropropan-2-yl)benzamide.
What is the SMILES notation for 4-chloro-2,5-difluoro-N-(1,1,1-trifluoropropan-2-yl)benzamide?
The canonical SMILES for 4-chloro-2,5-difluoro-N-(1,1,1-trifluoropropan-2-yl)benzamide is CC(NC(=O)c1cc(F)c(Cl)cc1F)C(F)(F)F.
What is the InChIKey of 4-chloro-2,5-difluoro-N-(1,1,1-trifluoropropan-2-yl)benzamide?
The InChIKey is FGWQQQAITPDCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF5NO/c1-4(10(14,15)16)17-9(18)5-2-8(13)6(11)3-7(5)12/h2-4H,1H3,(H,17,18).
What are the key properties of 4-chloro-2,5-difluoro-N-(1,1,1-trifluoropropan-2-yl)benzamide?
4-chloro-2,5-difluoro-N-(1,1,1-trifluoropropan-2-yl)benzamide has a molecular weight of 287.62 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-difluoro-N-(1,1,1-trifluoropropan-2-yl)benzamide is sourced from PubChem (CID 175078234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).