N-naphthalen-1-yl-3-phenyl-2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]propanamide

C23H19F3N2O2 — CID 4509850

IUPACN-naphthalen-1-yl-3-phenyl-2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]propanamide
SMILESO=C(Nc1cccc2ccccc12)C(Cc1ccccc1)NC=CC(=O)C(F)(F)F
InChIInChI=1S/C23H19F3N2O2/c24-23(25,26)21(29)13-14-27-20(15-16-7-2-1-3-8-16)22(30)28-19-12-6-10-17-9-4-5-11-18(17)19/h1-14,20,27H,15H2,(H,28,30)
InChIKeyHYLTZTDZOHDDSF-UHFFFAOYSA-N
MW412.41 g/mol
LogP4.62
Rot. Bonds7

About N-naphthalen-1-yl-3-phenyl-2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]propanamide

N-naphthalen-1-yl-3-phenyl-2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]propanamide (PubChem CID 4509850) has the molecular formula C23H19F3N2O2 and a molecular weight of 412.41 g/mol. Its IUPAC name is N-naphthalen-1-yl-3-phenyl-2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]propanamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-3-phenyl-2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]propanamide
PubChem CID4509850
Molecular FormulaC23H19F3N2O2
Molecular Weight412.41 g/mol
Exact Mass412.14
IUPAC NameN-naphthalen-1-yl-3-phenyl-2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]propanamide
SMILESO=C(Nc1cccc2ccccc12)C(Cc1ccccc1)NC=CC(=O)C(F)(F)F
InChIInChI=1S/C23H19F3N2O2/c24-23(25,26)21(29)13-14-27-20(15-16-7-2-1-3-8-16)22(30)28-19-12-6-10-17-9-4-5-11-18(17)19/h1-14,20,27H,15H2,(H,28,30)
InChIKeyHYLTZTDZOHDDSF-UHFFFAOYSA-N
XLogP4.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 54.62
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

N,3-diphenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanamide
CID 6134355
N-naphthalen-2-yl-3-phenyl-2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]propanamide
CID 4509851
3-phenyl-N-(4-phenylphenyl)-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanamide
CID 6134525
N-(3-nitrophenyl)-3-phenyl-2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]propanamide
CID 4509854
N-(3-methyl-2-pyridinyl)-3-phenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanamide
CID 6134522
N-(4-morpholin-4-ylphenyl)-3-phenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanamide
CID 6134581
3-phenyl-2-[[(Z)-4,4,4-trichloro-3-oxobut-1-enyl]amino]propanoic acid
CID 23247360
2-bromo-2-fluoro-N-naphthalen-1-ylacetamide
CID 163361767
prop-2-enyl (2S)-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanoate
CID 40634959
sodium (2S,3S)-3-[[(2S)-1-(naphthalen-1-ylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]aziridine-2-carboxylate
CID 23662059
(2S)-N-cyclopropyl-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanamide
CID 52506751
(2R)-2-[[(2R)-2-(naphthalen-1-ylcarbamoylamino)propanoyl]amino]-3-phenylpropanoic acid
CID 40571772

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-3-phenyl-2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]propanamide?
The IUPAC name of N-naphthalen-1-yl-3-phenyl-2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]propanamide (CID 4509850) is N-naphthalen-1-yl-3-phenyl-2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]propanamide.
What is the SMILES notation for N-naphthalen-1-yl-3-phenyl-2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]propanamide?
The canonical SMILES for N-naphthalen-1-yl-3-phenyl-2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]propanamide is O=C(Nc1cccc2ccccc12)C(Cc1ccccc1)NC=CC(=O)C(F)(F)F.
What is the InChIKey of N-naphthalen-1-yl-3-phenyl-2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]propanamide?
The InChIKey is HYLTZTDZOHDDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O2/c24-23(25,26)21(29)13-14-27-20(15-16-7-2-1-3-8-16)22(30)28-19-12-6-10-17-9-4-5-11-18(17)19/h1-14,20,27H,15H2,(H,28,30).
What are the key properties of N-naphthalen-1-yl-3-phenyl-2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]propanamide?
N-naphthalen-1-yl-3-phenyl-2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]propanamide has a molecular weight of 412.41 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-3-phenyl-2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]propanamide is sourced from PubChem (CID 4509850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).