3-phenyl-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide

C23H20F3N3O2 — CID 3986081

IUPAC3-phenyl-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(Nc1ccccc1)NC(Cc1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H20F3N3O2/c24-23(25,26)17-11-13-19(14-12-17)27-21(30)20(15-16-7-3-1-4-8-16)29-22(31)28-18-9-5-2-6-10-18/h1-14,20H,15H2,(H,27,30)(H2,28,29,31)
InChIKeyCVRJSVCLIDBVIW-UHFFFAOYSA-N
MW427.43 g/mol
LogP5.08
Rot. Bonds6

About 3-phenyl-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide

3-phenyl-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 3986081) has the molecular formula C23H20F3N3O2 and a molecular weight of 427.43 g/mol. Its IUPAC name is 3-phenyl-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-phenyl-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID3986081
Molecular FormulaC23H20F3N3O2
Molecular Weight427.43 g/mol
Exact Mass427.15
IUPAC Name3-phenyl-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(Nc1ccccc1)NC(Cc1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H20F3N3O2/c24-23(25,26)17-11-13-19(14-12-17)27-21(30)20(15-16-7-3-1-4-8-16)29-22(31)28-18-9-5-2-6-10-18/h1-14,20H,15H2,(H,27,30)(H2,28,29,31)
InChIKeyCVRJSVCLIDBVIW-UHFFFAOYSA-N
XLogP5.08
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.43
LogP ≤ 55.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26005525
(2S)-2-[(4-methylphenyl)carbamoylamino]-3-phenyl-N-pyridin-4-ylpropanamide
CID 10248837
(2R)-3-phenyl-2-(phenylcarbamoylamino)propanoic acid
CID 676399
2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-3-phenyl-N-(2-phenylethyl)propanamide
CID 42702037
(2S)-2-[(2-hydroxyphenyl)methylideneamino]-3-methyl-N-[(2R)-1-oxo-3-phenyl-1-[4-(trifluoromethyl)anilino]propan-2-yl]butanamide
CID 135914594
2-[[4-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid
CID 61181255
1-benzhydryl-3-[4-(trifluoromethyl)phenyl]urea
CID 108867584
N-[(1S,2S)-1,2-diphenyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-2-phenylacetamide
CID 70268536
3-phenyl-N-[4-(trifluoromethyl)phenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43870653
N-(4-anilinophenyl)-2-(carbamoylamino)-3-phenylpropanamide
CID 134008809
N-[1-oxo-3-phenyl-1-[3-(trifluoromethyl)anilino]propan-2-yl]furan-2-carboxamide
CID 112762822
(2S)-4-methyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]pentanoic acid
CID 71569670

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-phenyl-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide (CID 3986081) is 3-phenyl-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-phenyl-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-phenyl-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide is O=C(Nc1ccccc1)NC(Cc1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-phenyl-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is CVRJSVCLIDBVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O2/c24-23(25,26)17-11-13-19(14-12-17)27-21(30)20(15-16-7-3-1-4-8-16)29-22(31)28-18-9-5-2-6-10-18/h1-14,20H,15H2,(H,27,30)(H2,28,29,31).
What are the key properties of 3-phenyl-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide?
3-phenyl-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 427.43 g/mol, XLogP of 5.08, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 3986081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).