N-[2-(propylcarbamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide

C19H16F6N2O2 — CID 134460179

IUPACN-[2-(propylcarbamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C19H16F6N2O2/c1-2-7-26-17(29)14-5-3-4-6-15(14)27-16(28)11-8-12(18(20,21)22)10-13(9-11)19(23,24)25/h3-6,8-10H,2,7H2,1H3,(H,26,29)(H,27,28)
InChIKeyJLTXSZKNDAHQIP-UHFFFAOYSA-N
MW418.34 g/mol
LogP5.12
Rot. Bonds5

About N-[2-(propylcarbamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide

N-[2-(propylcarbamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide (PubChem CID 134460179) has the molecular formula C19H16F6N2O2 and a molecular weight of 418.34 g/mol. Its IUPAC name is N-[2-(propylcarbamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(propylcarbamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide
PubChem CID134460179
Molecular FormulaC19H16F6N2O2
Molecular Weight418.34 g/mol
Exact Mass418.11
IUPAC NameN-[2-(propylcarbamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C19H16F6N2O2/c1-2-7-26-17(29)14-5-3-4-6-15(14)27-16(28)11-8-12(18(20,21)22)10-13(9-11)19(23,24)25/h3-6,8-10H,2,7H2,1H3,(H,26,29)(H,27,28)
InChIKeyJLTXSZKNDAHQIP-UHFFFAOYSA-N
XLogP5.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.34
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-difluoro-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 8750781
N-[2-(dimethylcarbamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 39233175
2-[(3-fluorobenzoyl)amino]-N-propylbenzamide
CID 8002041
N-propyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374871
N-(2-carbamoylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 60592332
N-[2-(propylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 8750851
3-iodo-4-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 4945980
N-[2-(propylcarbamoyl)phenyl]furan-3-carboxamide
CID 34751154
2-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 4945880
3-methyl-N-propyl-5-(trifluoromethyl)benzamide
CID 71119889
N-[2-(propylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 6457856
2,4-dimethyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 34748509

Frequently Asked Questions

What is the IUPAC name of N-[2-(propylcarbamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(propylcarbamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide (CID 134460179) is N-[2-(propylcarbamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(propylcarbamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(propylcarbamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide is CCCNC(=O)c1ccccc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(propylcarbamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is JLTXSZKNDAHQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F6N2O2/c1-2-7-26-17(29)14-5-3-4-6-15(14)27-16(28)11-8-12(18(20,21)22)10-13(9-11)19(23,24)25/h3-6,8-10H,2,7H2,1H3,(H,26,29)(H,27,28).
What are the key properties of N-[2-(propylcarbamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide?
N-[2-(propylcarbamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 418.34 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(propylcarbamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 134460179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).