3-N-(5-chloro-2-fluorophenyl)benzene-1,3-dicarboxamide

C14H10ClFN2O2 — CID 172831894

IUPAC3-N-(5-chloro-2-fluorophenyl)benzene-1,3-dicarboxamide
SMILESNC(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2F)c1
InChIInChI=1S/C14H10ClFN2O2/c15-10-4-5-11(16)12(7-10)18-14(20)9-3-1-2-8(6-9)13(17)19/h1-7H,(H2,17,19)(H,18,20)
InChIKeyVPVBQVFXKRUPLM-UHFFFAOYSA-N
MW292.70 g/mol
LogP2.83
Rot. Bonds3

About 3-N-(5-chloro-2-fluorophenyl)benzene-1,3-dicarboxamide

3-N-(5-chloro-2-fluorophenyl)benzene-1,3-dicarboxamide (PubChem CID 172831894) has the molecular formula C14H10ClFN2O2 and a molecular weight of 292.70 g/mol. Its IUPAC name is 3-N-(5-chloro-2-fluorophenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(5-chloro-2-fluorophenyl)benzene-1,3-dicarboxamide
PubChem CID172831894
Molecular FormulaC14H10ClFN2O2
Molecular Weight292.70 g/mol
Exact Mass292.04
IUPAC Name3-N-(5-chloro-2-fluorophenyl)benzene-1,3-dicarboxamide
SMILESNC(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2F)c1
InChIInChI=1S/C14H10ClFN2O2/c15-10-4-5-11(16)12(7-10)18-14(20)9-3-1-2-8(6-9)13(17)19/h1-7H,(H2,17,19)(H,18,20)
InChIKeyVPVBQVFXKRUPLM-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-carbamothioyl-N-(5-chloro-2-fluorophenyl)benzamide
CID 43438538
3-N-(2-chloro-3-fluorophenyl)benzene-1,3-dicarboxamide
CID 172768302
3-N-(3-chlorophenyl)benzene-1,3-dicarboxamide
CID 35554073
N-(5-chloro-2-fluorophenyl)-3-methylsulfonylbenzamide
CID 51149042
N-(5-chloro-2-fluorophenyl)-4-fluorobenzamide
CID 2664585
3-amino-N-(4-chloro-2-fluorophenyl)benzamide
CID 43708013
N-(5-chloro-2-fluorophenyl)-3-(dimethylsulfamoyl)benzamide
CID 2664609
2,6-dichloro-N-(5-chloro-2-fluorophenyl)pyridine-4-carboxamide
CID 43384924
4-bromo-3-chloro-N-(5-chloro-2-fluorophenyl)benzamide
CID 81308166
3-[(2-fluoro-5-methylphenyl)carbamoyl]benzoic acid
CID 43452946
6-amino-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide
CID 62239804
N-(5-chloro-2-fluorophenyl)-3-(cyclopropylsulfamoyl)benzamide
CID 94006212

Frequently Asked Questions

What is the IUPAC name of 3-N-(5-chloro-2-fluorophenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(5-chloro-2-fluorophenyl)benzene-1,3-dicarboxamide (CID 172831894) is 3-N-(5-chloro-2-fluorophenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(5-chloro-2-fluorophenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(5-chloro-2-fluorophenyl)benzene-1,3-dicarboxamide is NC(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2F)c1.
What is the InChIKey of 3-N-(5-chloro-2-fluorophenyl)benzene-1,3-dicarboxamide?
The InChIKey is VPVBQVFXKRUPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O2/c15-10-4-5-11(16)12(7-10)18-14(20)9-3-1-2-8(6-9)13(17)19/h1-7H,(H2,17,19)(H,18,20).
What are the key properties of 3-N-(5-chloro-2-fluorophenyl)benzene-1,3-dicarboxamide?
3-N-(5-chloro-2-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-(5-chloro-2-fluorophenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 172831894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).