3,5-dichloro-4-fluoro-N-methoxy-N-methylbenzamide

C9H8Cl2FNO2 — CID 145439185

IUPAC3,5-dichloro-4-fluoro-N-methoxy-N-methylbenzamide
SMILESCON(C)C(=O)c1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C9H8Cl2FNO2/c1-13(15-2)9(14)5-3-6(10)8(12)7(11)4-5/h3-4H,1-2H3
InChIKeyKMTAMRFWYPQBJC-UHFFFAOYSA-N
MW252.07 g/mol
LogP2.77
Rot. Bonds2

About 3,5-dichloro-4-fluoro-N-methoxy-N-methylbenzamide

3,5-dichloro-4-fluoro-N-methoxy-N-methylbenzamide (PubChem CID 145439185) has the molecular formula C9H8Cl2FNO2 and a molecular weight of 252.07 g/mol. Its IUPAC name is 3,5-dichloro-4-fluoro-N-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name3,5-dichloro-4-fluoro-N-methoxy-N-methylbenzamide
PubChem CID145439185
Molecular FormulaC9H8Cl2FNO2
Molecular Weight252.07 g/mol
Exact Mass250.99
IUPAC Name3,5-dichloro-4-fluoro-N-methoxy-N-methylbenzamide
SMILESCON(C)C(=O)c1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C9H8Cl2FNO2/c1-13(15-2)9(14)5-3-6(10)8(12)7(11)4-5/h3-4H,1-2H3
InChIKeyKMTAMRFWYPQBJC-UHFFFAOYSA-N
XLogP2.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.07
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-tert-butyl-1-N,3-N-dimethoxy-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 58045996
4-cyclopropyl-3,5-difluoro-N-methoxy-N-methylbenzamide
CID 165140222
N,3,5-trimethoxy-N,4-dimethylbenzamide
CID 23137896
ethane;4-fluoro-N-methoxy-N-methylbenzamide;methanethiol
CID 143189438
5,6-dichloro-N-methoxy-N,2-dimethylpyridine-3-carboxamide
CID 119054669
N-methoxy-N,3-dimethyl-5-(trifluoromethyl)benzamide
CID 58319295
3-bromo-N-methoxy-N,5-dimethylbenzamide
CID 89425186
5-fluoro-N-methoxy-N,2,4-trimethylbenzamide
CID 89047148
5-chloro-3-fluoro-N-methoxy-N-methylpyridine-2-carboxamide
CID 86715759
methyl 3-bromo-5-[methoxy(methyl)carbamoyl]benzoate
CID 86677590
N-methoxymethanamine;2,4,5-trifluoro-N-methoxy-N-methylbenzamide
CID 158345868
N-methoxy-N,3,4-trimethylbenzamide
CID 14973055

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-fluoro-N-methoxy-N-methylbenzamide?
The IUPAC name of 3,5-dichloro-4-fluoro-N-methoxy-N-methylbenzamide (CID 145439185) is 3,5-dichloro-4-fluoro-N-methoxy-N-methylbenzamide.
What is the SMILES notation for 3,5-dichloro-4-fluoro-N-methoxy-N-methylbenzamide?
The canonical SMILES for 3,5-dichloro-4-fluoro-N-methoxy-N-methylbenzamide is CON(C)C(=O)c1cc(Cl)c(F)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-fluoro-N-methoxy-N-methylbenzamide?
The InChIKey is KMTAMRFWYPQBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2FNO2/c1-13(15-2)9(14)5-3-6(10)8(12)7(11)4-5/h3-4H,1-2H3.
What are the key properties of 3,5-dichloro-4-fluoro-N-methoxy-N-methylbenzamide?
3,5-dichloro-4-fluoro-N-methoxy-N-methylbenzamide has a molecular weight of 252.07 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-fluoro-N-methoxy-N-methylbenzamide is sourced from PubChem (CID 145439185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).