N-[[4-[2-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide

C21H15F3N2O3 — CID 70361958

IUPACN-[[4-[2-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1)Nc1ccc(Oc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C21H15F3N2O3/c22-21(23,24)17-8-4-5-9-18(17)29-16-12-10-15(11-13-16)25-20(28)26-19(27)14-6-2-1-3-7-14/h1-13H,(H2,25,26,27,28)
InChIKeyHCJFBTADAACBMD-UHFFFAOYSA-N
MW400.36 g/mol
LogP5.46
Rot. Bonds4

About N-[[4-[2-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide

N-[[4-[2-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide (PubChem CID 70361958) has the molecular formula C21H15F3N2O3 and a molecular weight of 400.36 g/mol. Its IUPAC name is N-[[4-[2-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide.

Molecular Properties

Compound NameN-[[4-[2-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide
PubChem CID70361958
Molecular FormulaC21H15F3N2O3
Molecular Weight400.36 g/mol
Exact Mass400.10
IUPAC NameN-[[4-[2-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1)Nc1ccc(Oc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C21H15F3N2O3/c22-21(23,24)17-8-4-5-9-18(17)29-16-12-10-15(11-13-16)25-20(28)26-19(27)14-6-2-1-3-7-14/h1-13H,(H2,25,26,27,28)
InChIKeyHCJFBTADAACBMD-UHFFFAOYSA-N
XLogP5.46
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.36
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-[[4-[2-(trifluoromethyl)phenoxy]phenyl]carbamoylamino]butanamide
CID 166198454
N-[(4-ethoxyphenyl)carbamoyl]benzamide
CID 2986057
2,6-dichloro-N-[[6-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide
CID 12912773
4-phenoxy-N-[2-(trifluoromethyl)phenyl]benzamide
CID 16651583
N-[3-oxo-3-[4-(trifluoromethoxy)anilino]-1-[2-(trifluoromethyl)phenyl]prop-1-en-2-yl]benzamide
CID 91969719
2-amino-2-(oxan-4-yl)-N-[4-[2-(trifluoromethyl)phenoxy]phenyl]acetamide;hydrochloride
CID 120790257
1-ethynyl-4-[2-(trifluoromethyl)phenoxy]benzene
CID 155887443
2,6-dichloro-N-[(4-naphthalen-1-yloxyphenyl)carbamoyl]benzamide
CID 23455386
(2S,5R)-5-(aminomethyl)-N-[4-[2-(trifluoromethyl)phenoxy]phenyl]oxolane-2-carboxamide
CID 120790256
3-[2-(trifluoromethyl)phenoxy]benzamide
CID 133055658
N-[(4-phenoxyphenyl)carbamothioyl]-3-(trifluoromethyl)benzamide
CID 141092789
N-[4-(2-nitrophenoxy)phenyl]benzamide
CID 9110945

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide?
The IUPAC name of N-[[4-[2-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide (CID 70361958) is N-[[4-[2-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide.
What is the SMILES notation for N-[[4-[2-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide?
The canonical SMILES for N-[[4-[2-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide is O=C(NC(=O)c1ccccc1)Nc1ccc(Oc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of N-[[4-[2-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide?
The InChIKey is HCJFBTADAACBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O3/c22-21(23,24)17-8-4-5-9-18(17)29-16-12-10-15(11-13-16)25-20(28)26-19(27)14-6-2-1-3-7-14/h1-13H,(H2,25,26,27,28).
What are the key properties of N-[[4-[2-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide?
N-[[4-[2-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide has a molecular weight of 400.36 g/mol, XLogP of 5.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide is sourced from PubChem (CID 70361958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).