(E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylprop-2-enamide

C16H11ClF3NO — CID 874240

IUPAC(E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H11ClF3NO/c17-13-8-7-12(16(18,19)20)10-14(13)21-15(22)9-6-11-4-2-1-3-5-11/h1-10H,(H,21,22)/b9-6+
InChIKeyMGHBMMRYERLJOQ-RMKNXTFCSA-N
MW325.72 g/mol
LogP5.01
Rot. Bonds3

About (E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylprop-2-enamide

(E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylprop-2-enamide (PubChem CID 874240) has the molecular formula C16H11ClF3NO and a molecular weight of 325.72 g/mol. Its IUPAC name is (E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylprop-2-enamide
PubChem CID874240
Molecular FormulaC16H11ClF3NO
Molecular Weight325.72 g/mol
Exact Mass325.05
IUPAC Name(E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H11ClF3NO/c17-13-8-7-12(16(18,19)20)10-14(13)21-15(22)9-6-11-4-2-1-3-5-11/h1-10H,(H,21,22)/b9-6+
InChIKeyMGHBMMRYERLJOQ-RMKNXTFCSA-N
XLogP5.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.72
LogP ≤ 55.01
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

4-chloro-3-[3-[3-(trifluoromethyl)phenyl]prop-2-enoylamino]benzoic acid
CID 54192223
(E)-N-(2,5-dichlorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 18808993
N-(2-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 874967
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylpropanamide
CID 23100533
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4-propoxyphenyl)prop-2-enamide
CID 2791739
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-phenylprop-2-enamide
CID 715676
N-(3-acetamido-4-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 103598616
4-chloro-N-phenyl-3-(3-phenylprop-2-enoylamino)benzamide
CID 1228214
2-(benzylideneamino)oxy-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 2336634
(E)-N-(2,6-dichlorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 18808995
ethyl 4-chloro-3-(3-phenylprop-2-enoylamino)benzoate
CID 838209
N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide
CID 2904522

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylprop-2-enamide (CID 874240) is (E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of (E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylprop-2-enamide?
The InChIKey is MGHBMMRYERLJOQ-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H11ClF3NO/c17-13-8-7-12(16(18,19)20)10-14(13)21-15(22)9-6-11-4-2-1-3-5-11/h1-10H,(H,21,22)/b9-6+.
What are the key properties of (E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylprop-2-enamide?
(E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylprop-2-enamide has a molecular weight of 325.72 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 874240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).