4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide

C16H13F3N2O2 — CID 68505609

IUPAC4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1C(N)=O
InChIInChI=1S/C16H13F3N2O2/c1-9-5-6-10(7-13(9)14(20)22)15(23)21-12-4-2-3-11(8-12)16(17,18)19/h2-8H,1H3,(H2,20,22)(H,21,23)
InChIKeySDWCRJCPJXUZOZ-UHFFFAOYSA-N
MW322.29 g/mol
LogP3.37
Rot. Bonds3

About 4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide

4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide (PubChem CID 68505609) has the molecular formula C16H13F3N2O2 and a molecular weight of 322.29 g/mol. Its IUPAC name is 4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
PubChem CID68505609
Molecular FormulaC16H13F3N2O2
Molecular Weight322.29 g/mol
Exact Mass322.09
IUPAC Name4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1C(N)=O
InChIInChI=1S/C16H13F3N2O2/c1-9-5-6-10(7-13(9)14(20)22)15(23)21-12-4-2-3-11(8-12)16(17,18)19/h2-8H,1H3,(H2,20,22)(H,21,23)
InChIKeySDWCRJCPJXUZOZ-UHFFFAOYSA-N
XLogP3.37
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 24823425
3-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzene-1,3-dicarboxamide
CID 46577065
2-N-[3-(trifluoromethyl)phenyl]naphthalene-2,7-dicarboxamide
CID 68648982
4-hydroxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 103955327
3-(3-aminophenyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 69043668
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 678380
4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 62238140
3-methyl-4-propyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 165142528
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
4-amino-3-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 107073831
3-[(4-acetamidobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46513546

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide?
The IUPAC name of 4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide (CID 68505609) is 4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide is Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1C(N)=O.
What is the InChIKey of 4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide?
The InChIKey is SDWCRJCPJXUZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O2/c1-9-5-6-10(7-13(9)14(20)22)15(23)21-12-4-2-3-11(8-12)16(17,18)19/h2-8H,1H3,(H2,20,22)(H,21,23).
What are the key properties of 4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide?
4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide has a molecular weight of 322.29 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 68505609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).