(E)-N-[(3-acetamidophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]prop-2-enamide

C19H18F2N2O3 — CID 39572660

IUPAC(E)-N-[(3-acetamidophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
SMILESCC(=O)Nc1cccc(CNC(=O)/C=C/c2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C19H18F2N2O3/c1-13(24)23-16-4-2-3-15(11-16)12-22-18(25)10-7-14-5-8-17(9-6-14)26-19(20)21/h2-11,19H,12H2,1H3,(H,22,25)(H,23,24)/b10-7+
InChIKeyNUKCAHQAXFJBDR-JXMROGBWSA-N
MW360.36 g/mol
LogP3.58
Rot. Bonds7

About (E)-N-[(3-acetamidophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]prop-2-enamide

(E)-N-[(3-acetamidophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]prop-2-enamide (PubChem CID 39572660) has the molecular formula C19H18F2N2O3 and a molecular weight of 360.36 g/mol. Its IUPAC name is (E)-N-[(3-acetamidophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(3-acetamidophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
PubChem CID39572660
Molecular FormulaC19H18F2N2O3
Molecular Weight360.36 g/mol
Exact Mass360.13
IUPAC Name(E)-N-[(3-acetamidophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
SMILESCC(=O)Nc1cccc(CNC(=O)/C=C/c2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C19H18F2N2O3/c1-13(24)23-16-4-2-3-15(11-16)12-22-18(25)10-7-14-5-8-17(9-6-14)26-19(20)21/h2-11,19H,12H2,1H3,(H,22,25)(H,23,24)/b10-7+
InChIKeyNUKCAHQAXFJBDR-JXMROGBWSA-N
XLogP3.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 53.58
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)-N-[(3-acetamidophenyl)methyl]-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enamide
CID 39573134
(E)-3-[4-(difluoromethoxy)phenyl]-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 7916746
(E)-3-[4-(difluoromethoxy)phenyl]-N-(3-methoxyphenyl)prop-2-enamide
CID 2654528
3-(4-methoxyphenyl)-N-[[3-[[3-(4-methoxyphenyl)prop-2-enoylamino]methyl]phenyl]methyl]prop-2-enamide
CID 1011377
(E)-3-(4-acetamidophenyl)-N-[(3-chlorophenyl)methyl]prop-2-enamide
CID 51333626
[2-(3-ethylanilino)-2-oxoethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 7996427
(E)-3-(4-methylphenyl)-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide
CID 108934709
(E)-3-(4-acetamidophenyl)-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]prop-2-enamide
CID 39588594
(E)-3-(4-fluorophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]prop-2-enamide
CID 99996359
(E)-3-[4-(difluoromethoxy)phenyl]-N-[(2-methoxyphenyl)methyl]prop-2-enamide
CID 18075413
N-[3-[[3-(4-ethoxyphenyl)prop-2-enoylamino]methyl]phenyl]cyclopentanecarboxamide
CID 76866423
(E)-3-(4-chlorophenyl)-N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide
CID 108934715

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3-acetamidophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-[(3-acetamidophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]prop-2-enamide (CID 39572660) is (E)-N-[(3-acetamidophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-[(3-acetamidophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-[(3-acetamidophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]prop-2-enamide is CC(=O)Nc1cccc(CNC(=O)/C=C/c2ccc(OC(F)F)cc2)c1.
What is the InChIKey of (E)-N-[(3-acetamidophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]prop-2-enamide?
The InChIKey is NUKCAHQAXFJBDR-JXMROGBWSA-N. The full InChI is InChI=1S/C19H18F2N2O3/c1-13(24)23-16-4-2-3-15(11-16)12-22-18(25)10-7-14-5-8-17(9-6-14)26-19(20)21/h2-11,19H,12H2,1H3,(H,22,25)(H,23,24)/b10-7+.
What are the key properties of (E)-N-[(3-acetamidophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]prop-2-enamide?
(E)-N-[(3-acetamidophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]prop-2-enamide has a molecular weight of 360.36 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3-acetamidophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 39572660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).