N-[4-propan-2-yl-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide

C24H22F3N3O2 — CID 175308603

IUPACN-[4-propan-2-yl-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
SMILESCC(C)c1ccc(NC(=O)c2ccccc2)cc1NC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H22F3N3O2/c1-15(2)20-12-11-19(28-22(31)16-7-4-3-5-8-16)14-21(20)30-23(32)29-18-10-6-9-17(13-18)24(25,26)27/h3-15H,1-2H3,(H,28,31)(H2,29,30,32)
InChIKeyHTUNATHACREHSE-UHFFFAOYSA-N
MW441.45 g/mol
LogP6.73
Rot. Bonds5

About N-[4-propan-2-yl-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide

N-[4-propan-2-yl-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide (PubChem CID 175308603) has the molecular formula C24H22F3N3O2 and a molecular weight of 441.45 g/mol. Its IUPAC name is N-[4-propan-2-yl-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-propan-2-yl-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
PubChem CID175308603
Molecular FormulaC24H22F3N3O2
Molecular Weight441.45 g/mol
Exact Mass441.17
IUPAC NameN-[4-propan-2-yl-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
SMILESCC(C)c1ccc(NC(=O)c2ccccc2)cc1NC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H22F3N3O2/c1-15(2)20-12-11-19(28-22(31)16-7-4-3-5-8-16)14-21(20)30-23(32)29-18-10-6-9-17(13-18)24(25,26)27/h3-15H,1-2H3,(H,28,31)(H2,29,30,32)
InChIKeyHTUNATHACREHSE-UHFFFAOYSA-N
XLogP6.73
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.45
LogP ≤ 56.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
N-[2,5-diethoxy-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 5163768
4-propan-2-yl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 28639338
4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 887218
N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide
CID 2678500
1-(4-benzoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 134095686
1-(2-sulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 108886280
3-[[(2S)-2-acetamidopropanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 87040115
3-[(4-acetamidobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46513546
4-(phenylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28639160
2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 19712375

Frequently Asked Questions

What is the IUPAC name of N-[4-propan-2-yl-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide?
The IUPAC name of N-[4-propan-2-yl-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide (CID 175308603) is N-[4-propan-2-yl-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide.
What is the SMILES notation for N-[4-propan-2-yl-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide?
The canonical SMILES for N-[4-propan-2-yl-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide is CC(C)c1ccc(NC(=O)c2ccccc2)cc1NC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[4-propan-2-yl-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide?
The InChIKey is HTUNATHACREHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O2/c1-15(2)20-12-11-19(28-22(31)16-7-4-3-5-8-16)14-21(20)30-23(32)29-18-10-6-9-17(13-18)24(25,26)27/h3-15H,1-2H3,(H,28,31)(H2,29,30,32).
What are the key properties of N-[4-propan-2-yl-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide?
N-[4-propan-2-yl-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide has a molecular weight of 441.45 g/mol, XLogP of 6.73, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-propan-2-yl-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide is sourced from PubChem (CID 175308603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).