2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide

C21H14ClF3N2O2 — CID 3609395

IUPAC2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C21H14ClF3N2O2/c22-18-10-2-1-9-17(18)20(29)27-15-7-3-5-13(11-15)19(28)26-16-8-4-6-14(12-16)21(23,24)25/h1-12H,(H,26,28)(H,27,29)
InChIKeyRRYWDEZUJNFAQQ-UHFFFAOYSA-N
MW418.80 g/mol
LogP5.86
Rot. Bonds4

About 2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide

2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide (PubChem CID 3609395) has the molecular formula C21H14ClF3N2O2 and a molecular weight of 418.80 g/mol. Its IUPAC name is 2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
PubChem CID3609395
Molecular FormulaC21H14ClF3N2O2
Molecular Weight418.80 g/mol
Exact Mass418.07
IUPAC Name2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C21H14ClF3N2O2/c22-18-10-2-1-9-17(18)20(29)27-15-7-3-5-13(11-15)19(28)26-16-8-4-6-14(12-16)21(23,24)25/h1-12H,(H,26,28)(H,27,29)
InChIKeyRRYWDEZUJNFAQQ-UHFFFAOYSA-N
XLogP5.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.80
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide
CID 24615496
3-[[2-(2-chlorophenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 18289509
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
3-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzene-1,3-dicarboxamide
CID 46577065
3-[(2-chlorobenzoyl)amino]benzoic acid;hydrochloride
CID 67246588
2-[(4-chlorobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 90011775
2-[(3-iodobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4107878
2,6-difluoro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 26289494
3-[(4-bromobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54791205
N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 126224742
3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844505

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide (CID 3609395) is 2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide is O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2ccccc2Cl)c1.
What is the InChIKey of 2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide?
The InChIKey is RRYWDEZUJNFAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF3N2O2/c22-18-10-2-1-9-17(18)20(29)27-15-7-3-5-13(11-15)19(28)26-16-8-4-6-14(12-16)21(23,24)25/h1-12H,(H,26,28)(H,27,29).
What are the key properties of 2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide?
2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide has a molecular weight of 418.80 g/mol, XLogP of 5.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 3609395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).