N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide

C21H16F3N3O2 — CID 130471222

IUPACN-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
SMILESO=C(Nc1ccc(NC(=O)c2ccccc2)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H16F3N3O2/c22-21(23,24)15-7-4-8-18(13-15)27-20(29)26-17-11-9-16(10-12-17)25-19(28)14-5-2-1-3-6-14/h1-13H,(H,25,28)(H2,26,27,29)
InChIKeySQBUAZVAZOGAKE-UHFFFAOYSA-N
MW399.37 g/mol
LogP5.60
Rot. Bonds4

About N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide

N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide (PubChem CID 130471222) has the molecular formula C21H16F3N3O2 and a molecular weight of 399.37 g/mol. Its IUPAC name is N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
PubChem CID130471222
Molecular FormulaC21H16F3N3O2
Molecular Weight399.37 g/mol
Exact Mass399.12
IUPAC NameN-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
SMILESO=C(Nc1ccc(NC(=O)c2ccccc2)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H16F3N3O2/c22-21(23,24)15-7-4-8-18(13-15)27-20(29)26-17-11-9-16(10-12-17)25-19(28)14-5-2-1-3-6-14/h1-13H,(H,25,28)(H2,26,27,29)
InChIKeySQBUAZVAZOGAKE-UHFFFAOYSA-N
XLogP5.60
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.37
LogP ≤ 55.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
1-(4-benzoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 134095686
4-(phenylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28639160
N-[4-propan-2-yl-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 175308603
3-[(4-acetamidobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46513546
4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 62238140
4-propan-2-yl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 28639338
4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
CID 788568
4-sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 107020049
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 4875220
3-[(4-bromobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54791205

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide?
The IUPAC name of N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide (CID 130471222) is N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide.
What is the SMILES notation for N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide?
The canonical SMILES for N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide is O=C(Nc1ccc(NC(=O)c2ccccc2)cc1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide?
The InChIKey is SQBUAZVAZOGAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O2/c22-21(23,24)15-7-4-8-18(13-15)27-20(29)26-17-11-9-16(10-12-17)25-19(28)14-5-2-1-3-6-14/h1-13H,(H,25,28)(H2,26,27,29).
What are the key properties of N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide?
N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide has a molecular weight of 399.37 g/mol, XLogP of 5.60, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide is sourced from PubChem (CID 130471222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).