N,3-diphenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanamide

C19H17F3N2O2 — CID 6134355

IUPACN,3-diphenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanamide
SMILESO=C(Nc1ccccc1)C(Cc1ccccc1)N/C=C/C(=O)C(F)(F)F
InChIInChI=1S/C19H17F3N2O2/c20-19(21,22)17(25)11-12-23-16(13-14-7-3-1-4-8-14)18(26)24-15-9-5-2-6-10-15/h1-12,16,23H,13H2,(H,24,26)/b12-11+
InChIKeyPTEUIHJNDCUINQ-VAWYXSNFSA-N
MW362.35 g/mol
LogP3.47
Rot. Bonds7

About N,3-diphenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanamide

N,3-diphenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanamide (PubChem CID 6134355) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is N,3-diphenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanamide.

Molecular Properties

Compound NameN,3-diphenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanamide
PubChem CID6134355
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC NameN,3-diphenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanamide
SMILESO=C(Nc1ccccc1)C(Cc1ccccc1)N/C=C/C(=O)C(F)(F)F
InChIInChI=1S/C19H17F3N2O2/c20-19(21,22)17(25)11-12-23-16(13-14-7-3-1-4-8-14)18(26)24-15-9-5-2-6-10-15/h1-12,16,23H,13H2,(H,24,26)/b12-11+
InChIKeyPTEUIHJNDCUINQ-VAWYXSNFSA-N
XLogP3.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-N-(4-phenylphenyl)-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanamide
CID 6134525
N-naphthalen-2-yl-3-phenyl-2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]propanamide
CID 4509851
N-(3-nitrophenyl)-3-phenyl-2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]propanamide
CID 4509854
N-(4-morpholin-4-ylphenyl)-3-phenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanamide
CID 6134581
N-naphthalen-1-yl-3-phenyl-2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]propanamide
CID 4509850
N-(3-methyl-2-pyridinyl)-3-phenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanamide
CID 6134522
(2R)-2-formamido-N,3-diphenylpropanamide
CID 167282540
3-phenyl-2-[[(Z)-4,4,4-trichloro-3-oxobut-1-enyl]amino]propanoic acid
CID 23247360
3-phenyl-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 3986081
(Z)-4-(benzylamino)-1,1,1-trifluorobut-3-en-2-one
CID 14691051
methyl (2S)-3-phenyl-2-[[(Z)-4,4,4-trichloro-3-oxobut-1-enyl]amino]propanoate
CID 101210331
3-methyl-N-[4-[2-[4-[[3-methyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]butanoyl]amino]phenyl]ethyl]phenyl]-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]butanamide
CID 6134894

Frequently Asked Questions

What is the IUPAC name of N,3-diphenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanamide?
The IUPAC name of N,3-diphenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanamide (CID 6134355) is N,3-diphenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanamide.
What is the SMILES notation for N,3-diphenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanamide?
The canonical SMILES for N,3-diphenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanamide is O=C(Nc1ccccc1)C(Cc1ccccc1)N/C=C/C(=O)C(F)(F)F.
What is the InChIKey of N,3-diphenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanamide?
The InChIKey is PTEUIHJNDCUINQ-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c20-19(21,22)17(25)11-12-23-16(13-14-7-3-1-4-8-14)18(26)24-15-9-5-2-6-10-15/h1-12,16,23H,13H2,(H,24,26)/b12-11+.
What are the key properties of N,3-diphenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanamide?
N,3-diphenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanamide has a molecular weight of 362.35 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diphenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanamide is sourced from PubChem (CID 6134355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).