3-N-(2-chloro-3-fluorophenyl)benzene-1,3-dicarboxamide

C14H10ClFN2O2 — CID 172768302

IUPAC3-N-(2-chloro-3-fluorophenyl)benzene-1,3-dicarboxamide
SMILESNC(=O)c1cccc(C(=O)Nc2cccc(F)c2Cl)c1
InChIInChI=1S/C14H10ClFN2O2/c15-12-10(16)5-2-6-11(12)18-14(20)9-4-1-3-8(7-9)13(17)19/h1-7H,(H2,17,19)(H,18,20)
InChIKeyMPONOFBNHFWAPD-UHFFFAOYSA-N
MW292.70 g/mol
LogP2.83
Rot. Bonds3

About 3-N-(2-chloro-3-fluorophenyl)benzene-1,3-dicarboxamide

3-N-(2-chloro-3-fluorophenyl)benzene-1,3-dicarboxamide (PubChem CID 172768302) has the molecular formula C14H10ClFN2O2 and a molecular weight of 292.70 g/mol. Its IUPAC name is 3-N-(2-chloro-3-fluorophenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2-chloro-3-fluorophenyl)benzene-1,3-dicarboxamide
PubChem CID172768302
Molecular FormulaC14H10ClFN2O2
Molecular Weight292.70 g/mol
Exact Mass292.04
IUPAC Name3-N-(2-chloro-3-fluorophenyl)benzene-1,3-dicarboxamide
SMILESNC(=O)c1cccc(C(=O)Nc2cccc(F)c2Cl)c1
InChIInChI=1S/C14H10ClFN2O2/c15-12-10(16)5-2-6-11(12)18-14(20)9-4-1-3-8(7-9)13(17)19/h1-7H,(H2,17,19)(H,18,20)
InChIKeyMPONOFBNHFWAPD-UHFFFAOYSA-N
XLogP2.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.70
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(5-chloro-2-fluorophenyl)benzene-1,3-dicarboxamide
CID 172831894
3-carbamothioyl-N-(5-chloro-2-fluorophenyl)benzamide
CID 43438538
3-N-(2,6-difluorophenyl)-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109057449
3-N-(3-chlorophenyl)benzene-1,3-dicarboxamide
CID 35554073
3-[(2,3-difluorophenyl)carbamoyl]benzoic acid
CID 61076302
1-N-(3-chloro-4-fluorophenyl)-3-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109057416
N-[2-chloro-3-(trifluoromethyl)phenyl]-3-iodobenzamide
CID 121454119
N-(2-chloro-3-fluorophenyl)-2-methylbenzamide
CID 3784219
3-fluoro-5-[(3-fluorobenzoyl)amino]-4-methylbenzamide
CID 86992287
3-amino-N-(4-chloro-2-fluorophenyl)benzamide
CID 43708013
3-N-(2-hydroxy-4-methylphenyl)benzene-1,3-dicarboxamide
CID 30828617
3-amino-N-(2-chloro-3-methylphenyl)benzamide
CID 113266907

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-chloro-3-fluorophenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(2-chloro-3-fluorophenyl)benzene-1,3-dicarboxamide (CID 172768302) is 3-N-(2-chloro-3-fluorophenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2-chloro-3-fluorophenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2-chloro-3-fluorophenyl)benzene-1,3-dicarboxamide is NC(=O)c1cccc(C(=O)Nc2cccc(F)c2Cl)c1.
What is the InChIKey of 3-N-(2-chloro-3-fluorophenyl)benzene-1,3-dicarboxamide?
The InChIKey is MPONOFBNHFWAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O2/c15-12-10(16)5-2-6-11(12)18-14(20)9-4-1-3-8(7-9)13(17)19/h1-7H,(H2,17,19)(H,18,20).
What are the key properties of 3-N-(2-chloro-3-fluorophenyl)benzene-1,3-dicarboxamide?
3-N-(2-chloro-3-fluorophenyl)benzene-1,3-dicarboxamide has a molecular weight of 292.70 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-chloro-3-fluorophenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 172768302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).