2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-3-phenyl-N-(2-phenylethyl)propanamide

C26H23F6N3O2 — CID 42702037

IUPAC2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-3-phenyl-N-(2-phenylethyl)propanamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC(Cc1ccccc1)C(=O)NCCc1ccccc1
InChIInChI=1S/C26H23F6N3O2/c27-25(28,29)19-14-20(26(30,31)32)16-21(15-19)34-24(37)35-22(13-18-9-5-2-6-10-18)23(36)33-12-11-17-7-3-1-4-8-17/h1-10,14-16,22H,11-13H2,(H,33,36)(H2,34,35,37)
InChIKeyPUQYBZXZSZHFKW-UHFFFAOYSA-N
MW523.48 g/mol
LogP5.82
Rot. Bonds8

About 2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-3-phenyl-N-(2-phenylethyl)propanamide

2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-3-phenyl-N-(2-phenylethyl)propanamide (PubChem CID 42702037) has the molecular formula C26H23F6N3O2 and a molecular weight of 523.48 g/mol. Its IUPAC name is 2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-3-phenyl-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-3-phenyl-N-(2-phenylethyl)propanamide
PubChem CID42702037
Molecular FormulaC26H23F6N3O2
Molecular Weight523.48 g/mol
Exact Mass523.17
IUPAC Name2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-3-phenyl-N-(2-phenylethyl)propanamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC(Cc1ccccc1)C(=O)NCCc1ccccc1
InChIInChI=1S/C26H23F6N3O2/c27-25(28,29)19-14-20(26(30,31)32)16-21(15-19)34-24(37)35-22(13-18-9-5-2-6-10-18)23(36)33-12-11-17-7-3-1-4-8-17/h1-10,14-16,22H,11-13H2,(H,33,36)(H2,34,35,37)
InChIKeyPUQYBZXZSZHFKW-UHFFFAOYSA-N
XLogP5.82
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.48
LogP ≤ 55.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-N-(2-phenylethyl)-2-[(4-propan-2-ylphenyl)carbamoylamino]propanamide
CID 42702046
3-phenyl-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 3986081
2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-3-phenylpropanoic acid
CID 74594694
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenyl-2-(phenylcarbamoylamino)propanamide
CID 42704104
1-benzyl-3-[3,5-bis(trifluoromethyl)phenyl]urea
CID 45112292
(2S)-2-acetamido-N-[2-(4-tert-butylphenyl)ethyl]-3-phenylpropanamide
CID 167860964
2-benzyl-N-[3,5-bis(trifluoromethyl)phenyl]-N'-[3-methyl-5-(trifluoromethyl)phenyl]propanediamide
CID 170288135
1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(2-bromophenyl)ethyl]urea
CID 108900585
N-[2-(4-acetamidophenyl)ethyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 167926376
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(1H-indol-3-yl)-2-(phenylcarbamoylamino)propanamide
CID 19003159
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-methoxyphenyl)carbamoylamino]-3-phenylpropanamide
CID 42704114
N-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 7478806

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-3-phenyl-N-(2-phenylethyl)propanamide?
The IUPAC name of 2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-3-phenyl-N-(2-phenylethyl)propanamide (CID 42702037) is 2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-3-phenyl-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-3-phenyl-N-(2-phenylethyl)propanamide?
The canonical SMILES for 2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-3-phenyl-N-(2-phenylethyl)propanamide is O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)NC(Cc1ccccc1)C(=O)NCCc1ccccc1.
What is the InChIKey of 2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-3-phenyl-N-(2-phenylethyl)propanamide?
The InChIKey is PUQYBZXZSZHFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F6N3O2/c27-25(28,29)19-14-20(26(30,31)32)16-21(15-19)34-24(37)35-22(13-18-9-5-2-6-10-18)23(36)33-12-11-17-7-3-1-4-8-17/h1-10,14-16,22H,11-13H2,(H,33,36)(H2,34,35,37).
What are the key properties of 2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-3-phenyl-N-(2-phenylethyl)propanamide?
2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-3-phenyl-N-(2-phenylethyl)propanamide has a molecular weight of 523.48 g/mol, XLogP of 5.82, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]-3-phenyl-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 42702037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).