4-chloro-2-fluoro-3-methylbenzamide

C8H7ClFNO — CID 83385455

IUPAC4-chloro-2-fluoro-3-methylbenzamide
SMILESCc1c(Cl)ccc(C(N)=O)c1F
InChIInChI=1S/C8H7ClFNO/c1-4-6(9)3-2-5(7(4)10)8(11)12/h2-3H,1H3,(H2,11,12)
InChIKeyZFESECHCKNVWTK-UHFFFAOYSA-N
MW187.60 g/mol
LogP1.89
Rot. Bonds1

About 4-chloro-2-fluoro-3-methylbenzamide

4-chloro-2-fluoro-3-methylbenzamide (PubChem CID 83385455) has the molecular formula C8H7ClFNO and a molecular weight of 187.60 g/mol. Its IUPAC name is 4-chloro-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-3-methylbenzamide
PubChem CID83385455
Molecular FormulaC8H7ClFNO
Molecular Weight187.60 g/mol
Exact Mass187.02
IUPAC Name4-chloro-2-fluoro-3-methylbenzamide
SMILESCc1c(Cl)ccc(C(N)=O)c1F
InChIInChI=1S/C8H7ClFNO/c1-4-6(9)3-2-5(7(4)10)8(11)12/h2-3H,1H3,(H2,11,12)
InChIKeyZFESECHCKNVWTK-UHFFFAOYSA-N
XLogP1.89
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.60
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-carbamoyl-3-fluoro-2-methylbenzoic acid
CID 165441853
3-fluoro-2,4-dimethylbenzamide
CID 119006165
4-chloro-2-fluoro-3-methylbenzoyl isocyanate
CID 152633841
1-chloro-4-[(Z)-1-chloroprop-1-enyl]-3-fluoro-2-methylbenzene
CID 145259308
2-bromo-4-chloro-3-fluorobenzamide
CID 89499969
4-chloro-3-fluoro-2-methylbenzoic acid
CID 15218738
3,4,5-trifluoro-2-methylbenzamide
CID 87559978
4-chloro-3,6-difluoro-2-methylbenzamide
CID 177366314
4-decyl-2-fluoro-3-methylbenzamide
CID 57359826
methyl N-(4-chloro-2-fluoro-3-methylphenyl)carbamate
CID 175755626
2-(4-chloro-2-fluoro-3-methylphenyl)-2,2-difluoroacetic acid
CID 127019570
ethyl 4-chloro-2,3-difluorobenzoate
CID 46311295

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-3-methylbenzamide?
The IUPAC name of 4-chloro-2-fluoro-3-methylbenzamide (CID 83385455) is 4-chloro-2-fluoro-3-methylbenzamide.
What is the SMILES notation for 4-chloro-2-fluoro-3-methylbenzamide?
The canonical SMILES for 4-chloro-2-fluoro-3-methylbenzamide is Cc1c(Cl)ccc(C(N)=O)c1F.
What is the InChIKey of 4-chloro-2-fluoro-3-methylbenzamide?
The InChIKey is ZFESECHCKNVWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFNO/c1-4-6(9)3-2-5(7(4)10)8(11)12/h2-3H,1H3,(H2,11,12).
What are the key properties of 4-chloro-2-fluoro-3-methylbenzamide?
4-chloro-2-fluoro-3-methylbenzamide has a molecular weight of 187.60 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 83385455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).