N-(1-prop-2-enoylazetidin-3-yl)-2-[4-(trifluoromethyl)phenyl]benzamide

C20H17F3N2O2 — CID 172888721

IUPACN-(1-prop-2-enoylazetidin-3-yl)-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESC=CC(=O)N1CC(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C20H17F3N2O2/c1-2-18(26)25-11-15(12-25)24-19(27)17-6-4-3-5-16(17)13-7-9-14(10-8-13)20(21,22)23/h2-10,15H,1,11-12H2,(H,24,27)
InChIKeyPKOPYPOUDNTNJA-UHFFFAOYSA-N
MW374.36 g/mol
LogP3.50
Rot. Bonds4

About N-(1-prop-2-enoylazetidin-3-yl)-2-[4-(trifluoromethyl)phenyl]benzamide

N-(1-prop-2-enoylazetidin-3-yl)-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 172888721) has the molecular formula C20H17F3N2O2 and a molecular weight of 374.36 g/mol. Its IUPAC name is N-(1-prop-2-enoylazetidin-3-yl)-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-(1-prop-2-enoylazetidin-3-yl)-2-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID172888721
Molecular FormulaC20H17F3N2O2
Molecular Weight374.36 g/mol
Exact Mass374.12
IUPAC NameN-(1-prop-2-enoylazetidin-3-yl)-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESC=CC(=O)N1CC(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C20H17F3N2O2/c1-2-18(26)25-11-15(12-25)24-19(27)17-6-4-3-5-16(17)13-7-9-14(10-8-13)20(21,22)23/h2-10,15H,1,11-12H2,(H,24,27)
InChIKeyPKOPYPOUDNTNJA-UHFFFAOYSA-N
XLogP3.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[1-[2-[4-(trifluoromethyl)phenyl]benzoyl]piperidin-4-yl]benzamide
CID 39511855
methyl (2S,4R)-4-[(2-phenylbenzoyl)amino]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylate
CID 42190962
N-[(3S)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 95771728
N-(5-methyl-2-oxooxolan-3-yl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 154836233
[(3R)-3-hydroxypyrrolidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 111560971
1-[(3S,4R)-3-hydroxy-4-[[4-[4-(trifluoromethyl)phenyl]phthalazin-1-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one
CID 169259307
N-[1-(quinolin-4-ylmethyl)piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 10141143
2,3-bis(ethenyl)-1-phenyl-4-[[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]methyl]cyclohex-2-ene-1-carboxylic acid
CID 162584570
N-(2,2,2-trifluoroethyl)-9-[3-[[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]cyclohexyl]amino]propyl]fluorene-9-carboxamide;hydrochloride
CID 158616940
[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 124612845
2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one
CID 16680132
2-(1-prop-2-enoylazetidin-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 166420285

Frequently Asked Questions

What is the IUPAC name of N-(1-prop-2-enoylazetidin-3-yl)-2-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-(1-prop-2-enoylazetidin-3-yl)-2-[4-(trifluoromethyl)phenyl]benzamide (CID 172888721) is N-(1-prop-2-enoylazetidin-3-yl)-2-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-(1-prop-2-enoylazetidin-3-yl)-2-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-(1-prop-2-enoylazetidin-3-yl)-2-[4-(trifluoromethyl)phenyl]benzamide is C=CC(=O)N1CC(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of N-(1-prop-2-enoylazetidin-3-yl)-2-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is PKOPYPOUDNTNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O2/c1-2-18(26)25-11-15(12-25)24-19(27)17-6-4-3-5-16(17)13-7-9-14(10-8-13)20(21,22)23/h2-10,15H,1,11-12H2,(H,24,27).
What are the key properties of N-(1-prop-2-enoylazetidin-3-yl)-2-[4-(trifluoromethyl)phenyl]benzamide?
N-(1-prop-2-enoylazetidin-3-yl)-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 374.36 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-prop-2-enoylazetidin-3-yl)-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 172888721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).