N-[2-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-4-(trifluoromethyl)benzamide

C19H17F3N2O2 — CID 177411899

IUPACN-[2-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-4-(trifluoromethyl)benzamide
SMILESCN(C)/C=C/C(=O)c1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17F3N2O2/c1-24(2)12-11-17(25)15-5-3-4-6-16(15)23-18(26)13-7-9-14(10-8-13)19(20,21)22/h3-12H,1-2H3,(H,23,26)/b12-11+
InChIKeyJMGQXIFVJXNFEU-VAWYXSNFSA-N
MW362.35 g/mol
LogP4.22
Rot. Bonds5

About N-[2-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-4-(trifluoromethyl)benzamide

N-[2-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 177411899) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is N-[2-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-4-(trifluoromethyl)benzamide
PubChem CID177411899
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC NameN-[2-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-4-(trifluoromethyl)benzamide
SMILESCN(C)/C=C/C(=O)c1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17F3N2O2/c1-24(2)12-11-17(25)15-5-3-4-6-16(15)23-18(26)13-7-9-14(10-8-13)19(20,21)22/h3-12H,1-2H3,(H,23,26)/b12-11+
InChIKeyJMGQXIFVJXNFEU-VAWYXSNFSA-N
XLogP4.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(E)-3-(dimethylamino)prop-2-enoyl]-5-iodophenyl]benzamide
CID 166438049
tert-butyl N-[2-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]carbamate
CID 162401948
N-[2-(dimethylcarbamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 39233175
N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-4-(trifluoromethyl)benzamide
CID 108933525
2,2,2-trifluoro-N-[2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]phenyl]acetamide
CID 141410051
3-(dimethylamino)-1-[2-phenyl-5-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 175410196
N-(2,3-dimethylphenyl)-4-(trifluoromethyl)benzamide
CID 2102456
N-(2-cyanophenyl)-4-(trifluoromethyl)benzamide
CID 9115538
2-chloro-3-[[4-(trifluoromethyl)benzoyl]amino]benzoyl chloride
CID 150007971
2-[(4-fluorobenzoyl)amino]-N,N-dimethylbenzamide
CID 4942407
2-[[4-(1,1,2,2,2-pentafluoroethyl)benzoyl]amino]benzoic acid
CID 126822242
N-[3-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]-2-(trifluoromethyl)benzamide
CID 87595402

Frequently Asked Questions

What is the IUPAC name of N-[2-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-4-(trifluoromethyl)benzamide (CID 177411899) is N-[2-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-4-(trifluoromethyl)benzamide is CN(C)/C=C/C(=O)c1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is JMGQXIFVJXNFEU-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c1-24(2)12-11-17(25)15-5-3-4-6-16(15)23-18(26)13-7-9-14(10-8-13)19(20,21)22/h3-12H,1-2H3,(H,23,26)/b12-11+.
What are the key properties of N-[2-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-4-(trifluoromethyl)benzamide?
N-[2-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 362.35 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 177411899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).