N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)prop-2-enamide

C20H20F2N2O3 — CID 103597765

IUPACN-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccccc1C=CC(=O)NC(C(=O)NC)c1ccc(F)c(F)c1
InChIInChI=1S/C20H20F2N2O3/c1-3-27-17-7-5-4-6-13(17)9-11-18(25)24-19(20(26)23-2)14-8-10-15(21)16(22)12-14/h4-12,19H,3H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyPZUGCNJWJJMFPL-UHFFFAOYSA-N
MW374.39 g/mol
LogP2.98
Rot. Bonds7

About N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)prop-2-enamide

N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)prop-2-enamide (PubChem CID 103597765) has the molecular formula C20H20F2N2O3 and a molecular weight of 374.39 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)prop-2-enamide
PubChem CID103597765
Molecular FormulaC20H20F2N2O3
Molecular Weight374.39 g/mol
Exact Mass374.14
IUPAC NameN-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccccc1C=CC(=O)NC(C(=O)NC)c1ccc(F)c(F)c1
InChIInChI=1S/C20H20F2N2O3/c1-3-27-17-7-5-4-6-13(17)9-11-18(25)24-19(20(26)23-2)14-8-10-15(21)16(22)12-14/h4-12,19H,3H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyPZUGCNJWJJMFPL-UHFFFAOYSA-N
XLogP2.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-bromophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]prop-2-enamide
CID 78841511
(E)-N-(3,4-difluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide
CID 9165751
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)propanamide
CID 134051655
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]prop-2-enamide
CID 78841479
4-(2-bromophenoxy)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]butanamide
CID 55790503
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(4-nitrophenyl)prop-2-enamide
CID 103597755
N-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]benzamide
CID 95402613
(E)-N-(2,6-difluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide
CID 51158911
2-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]-3-methoxypropanoic acid
CID 81084653
3-(2-ethoxyphenyl)-N-ethylprop-2-enamide
CID 76872072
(E)-3-(2-ethoxyphenyl)-N-[(4-fluoro-3-methylphenyl)methyl]prop-2-enamide
CID 29304402
(E)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 92682297

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)prop-2-enamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)prop-2-enamide (CID 103597765) is N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)prop-2-enamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)prop-2-enamide is CCOc1ccccc1C=CC(=O)NC(C(=O)NC)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)prop-2-enamide?
The InChIKey is PZUGCNJWJJMFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O3/c1-3-27-17-7-5-4-6-13(17)9-11-18(25)24-19(20(26)23-2)14-8-10-15(21)16(22)12-14/h4-12,19H,3H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)prop-2-enamide?
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)prop-2-enamide has a molecular weight of 374.39 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(2-ethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 103597765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).