2-[[(E)-3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-enoyl]amino]-N-methylbenzamide

C18H14ClF3N2O2 — CID 34753991

IUPAC2-[[(E)-3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-enoyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C18H14ClF3N2O2/c1-23-17(26)13-4-2-3-5-15(13)24-16(25)9-6-11-10-12(18(20,21)22)7-8-14(11)19/h2-10H,1H3,(H,23,26)(H,24,25)/b9-6+
InChIKeyLUPICIZKYHYDML-RMKNXTFCSA-N
MW382.77 g/mol
LogP4.37
Rot. Bonds4

About 2-[[(E)-3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-enoyl]amino]-N-methylbenzamide

2-[[(E)-3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-enoyl]amino]-N-methylbenzamide (PubChem CID 34753991) has the molecular formula C18H14ClF3N2O2 and a molecular weight of 382.77 g/mol. Its IUPAC name is 2-[[(E)-3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-enoyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name2-[[(E)-3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-enoyl]amino]-N-methylbenzamide
PubChem CID34753991
Molecular FormulaC18H14ClF3N2O2
Molecular Weight382.77 g/mol
Exact Mass382.07
IUPAC Name2-[[(E)-3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-enoyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C18H14ClF3N2O2/c1-23-17(26)13-4-2-3-5-15(13)24-16(25)9-6-11-10-12(18(20,21)22)7-8-14(11)19/h2-10H,1H3,(H,23,26)(H,24,25)/b9-6+
InChIKeyLUPICIZKYHYDML-RMKNXTFCSA-N
XLogP4.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.77
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylprop-2-enamide
CID 874240
(E)-3-[2-chloro-5-(trifluoromethyl)phenyl]-N-(4-iodophenyl)prop-2-enamide
CID 18809046
3-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 75982125
(E)-N-(1,3-benzothiazol-2-yl)-3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 18863115
2-methoxyethyl N-[3-[3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-enoylamino]phenyl]carbamate
CID 76870565
N-(2-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 874967
(E)-3-[2-chloro-5-(trifluoromethyl)phenyl]-N-(4-nitrophenyl)prop-2-enamide
CID 18809032
2-[[(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]benzoic acid
CID 18863167
(E)-3-[2-chloro-5-(trifluoromethyl)phenyl]-N'-(4,6-dimethylpyrimidin-2-yl)prop-2-enehydrazide
CID 75362300
3-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 55333062
N-methyl-2-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzamide
CID 51336969
(E)-N-[2-(benzylamino)-2-oxoethyl]-3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 55676176

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-enoyl]amino]-N-methylbenzamide?
The IUPAC name of 2-[[(E)-3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-enoyl]amino]-N-methylbenzamide (CID 34753991) is 2-[[(E)-3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-enoyl]amino]-N-methylbenzamide.
What is the SMILES notation for 2-[[(E)-3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-enoyl]amino]-N-methylbenzamide?
The canonical SMILES for 2-[[(E)-3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-enoyl]amino]-N-methylbenzamide is CNC(=O)c1ccccc1NC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-[[(E)-3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-enoyl]amino]-N-methylbenzamide?
The InChIKey is LUPICIZKYHYDML-RMKNXTFCSA-N. The full InChI is InChI=1S/C18H14ClF3N2O2/c1-23-17(26)13-4-2-3-5-15(13)24-16(25)9-6-11-10-12(18(20,21)22)7-8-14(11)19/h2-10H,1H3,(H,23,26)(H,24,25)/b9-6+.
What are the key properties of 2-[[(E)-3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-enoyl]amino]-N-methylbenzamide?
2-[[(E)-3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-enoyl]amino]-N-methylbenzamide has a molecular weight of 382.77 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-enoyl]amino]-N-methylbenzamide is sourced from PubChem (CID 34753991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).