(E)-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]prop-2-enamide

C19H18F3NO — CID 6445083

IUPAC(E)-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]prop-2-enamide
SMILESCC(Cc1cccc(C(F)(F)F)c1)NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C19H18F3NO/c1-14(12-16-8-5-9-17(13-16)19(20,21)22)23-18(24)11-10-15-6-3-2-4-7-15/h2-11,13-14H,12H2,1H3,(H,23,24)/b11-10+
InChIKeySKFQMWUWNHXNQN-ZHACJKMWSA-N
MW333.35 g/mol
LogP4.47
Rot. Bonds5

About (E)-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]prop-2-enamide

(E)-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]prop-2-enamide (PubChem CID 6445083) has the molecular formula C19H18F3NO and a molecular weight of 333.35 g/mol. Its IUPAC name is (E)-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]prop-2-enamide
PubChem CID6445083
Molecular FormulaC19H18F3NO
Molecular Weight333.35 g/mol
Exact Mass333.13
IUPAC Name(E)-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]prop-2-enamide
SMILESCC(Cc1cccc(C(F)(F)F)c1)NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C19H18F3NO/c1-14(12-16-8-5-9-17(13-16)19(20,21)22)23-18(24)11-10-15-6-3-2-4-7-15/h2-11,13-14H,12H2,1H3,(H,23,24)/b11-10+
InChIKeySKFQMWUWNHXNQN-ZHACJKMWSA-N
XLogP4.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-aminophenyl)-N-(1-phenylpropan-2-yl)prop-2-enamide
CID 115344062
(E)-3-(4-chlorophenyl)-N-[(2S)-1-phenylpropan-2-yl]prop-2-enamide
CID 882618
(2S)-2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]propanoic acid
CID 70500671
(E)-3-(4-methoxyphenyl)-N-[(2R)-1-phenylpropan-2-yl]prop-2-enamide
CID 757128
(E)-3-(4-fluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]prop-2-enamide
CID 86941786
N-[(2S)-1-hydroxypropan-2-yl]-3-phenylprop-2-enamide
CID 79023633
3-[[(E)-3-phenylprop-2-enoyl]amino]butanoic acid
CID 43092435
(E)-N-(1-hydroxypropan-2-yl)-3-phenylprop-2-enamide
CID 6434086
(2R)-N-ethyl-2-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]propanamide
CID 8750344
(E)-3-(3-fluorophenyl)-N-[1-(3-methoxyphenyl)propan-2-yl]prop-2-enamide
CID 86941753
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884
acetic acid;2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethanol
CID 23622748

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]prop-2-enamide?
The IUPAC name of (E)-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]prop-2-enamide (CID 6445083) is (E)-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]prop-2-enamide is CC(Cc1cccc(C(F)(F)F)c1)NC(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]prop-2-enamide?
The InChIKey is SKFQMWUWNHXNQN-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H18F3NO/c1-14(12-16-8-5-9-17(13-16)19(20,21)22)23-18(24)11-10-15-6-3-2-4-7-15/h2-11,13-14H,12H2,1H3,(H,23,24)/b11-10+.
What are the key properties of (E)-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]prop-2-enamide?
(E)-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]prop-2-enamide has a molecular weight of 333.35 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]prop-2-enamide is sourced from PubChem (CID 6445083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).