ethyl (E)-3-[4-[(5-fluoro-2-methoxybenzoyl)amino]phenyl]prop-2-enoate

C19H18FNO4 — CID 31146550

IUPACethyl (E)-3-[4-[(5-fluoro-2-methoxybenzoyl)amino]phenyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(NC(=O)c2cc(F)ccc2OC)cc1
InChIInChI=1S/C19H18FNO4/c1-3-25-18(22)11-6-13-4-8-15(9-5-13)21-19(23)16-12-14(20)7-10-17(16)24-2/h4-12H,3H2,1-2H3,(H,21,23)/b11-6+
InChIKeyAFQQCQKTDWRDGW-IZZDOVSWSA-N
MW343.35 g/mol
LogP3.66
Rot. Bonds6

About ethyl (E)-3-[4-[(5-fluoro-2-methoxybenzoyl)amino]phenyl]prop-2-enoate

ethyl (E)-3-[4-[(5-fluoro-2-methoxybenzoyl)amino]phenyl]prop-2-enoate (PubChem CID 31146550) has the molecular formula C19H18FNO4 and a molecular weight of 343.35 g/mol. Its IUPAC name is ethyl (E)-3-[4-[(5-fluoro-2-methoxybenzoyl)amino]phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[4-[(5-fluoro-2-methoxybenzoyl)amino]phenyl]prop-2-enoate
PubChem CID31146550
Molecular FormulaC19H18FNO4
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Nameethyl (E)-3-[4-[(5-fluoro-2-methoxybenzoyl)amino]phenyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(NC(=O)c2cc(F)ccc2OC)cc1
InChIInChI=1S/C19H18FNO4/c1-3-25-18(22)11-6-13-4-8-15(9-5-13)21-19(23)16-12-14(20)7-10-17(16)24-2/h4-12H,3H2,1-2H3,(H,21,23)/b11-6+
InChIKeyAFQQCQKTDWRDGW-IZZDOVSWSA-N
XLogP3.66
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-5-fluoro-2-methoxybenzamide
CID 31063829
ethyl (E)-3-(5-fluoro-2-methoxyphenyl)prop-2-enoate
CID 10537093
ethyl 3-[4-[2-(2-bromo-4-fluorophenoxy)propanoylamino]phenyl]prop-2-enoate
CID 55686063
ethyl (E)-3-[4-[(2,4-dichlorobenzoyl)amino]phenyl]prop-2-enoate
CID 27054357
ethyl (E)-3-[4-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]amino]phenyl]prop-2-enoate
CID 18127201
ethyl (E)-3-[4-[(6-methoxy-2-methylquinoline-3-carbonyl)amino]phenyl]prop-2-enoate
CID 33261281
ethyl (E)-3-[4-(naphthalene-1-carbonylamino)phenyl]prop-2-enoate
CID 27902050
ethyl 2-[4-[(2-methoxy-5-methylbenzoyl)amino]phenyl]acetate
CID 23453048
5-fluoro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 33037269
ethyl (E)-3-[4-[[2-[2-(2-methoxy-4-methylphenoxy)acetyl]oxyacetyl]amino]phenyl]prop-2-enoate
CID 18282870
methyl 3-[[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]carbamoyl]benzoate
CID 55759537
ethyl (E)-3-[3-[5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-methoxyphenyl]-4-methoxyphenyl]prop-2-enoate
CID 23242190

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[4-[(5-fluoro-2-methoxybenzoyl)amino]phenyl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[4-[(5-fluoro-2-methoxybenzoyl)amino]phenyl]prop-2-enoate (CID 31146550) is ethyl (E)-3-[4-[(5-fluoro-2-methoxybenzoyl)amino]phenyl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[4-[(5-fluoro-2-methoxybenzoyl)amino]phenyl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[4-[(5-fluoro-2-methoxybenzoyl)amino]phenyl]prop-2-enoate is CCOC(=O)/C=C/c1ccc(NC(=O)c2cc(F)ccc2OC)cc1.
What is the InChIKey of ethyl (E)-3-[4-[(5-fluoro-2-methoxybenzoyl)amino]phenyl]prop-2-enoate?
The InChIKey is AFQQCQKTDWRDGW-IZZDOVSWSA-N. The full InChI is InChI=1S/C19H18FNO4/c1-3-25-18(22)11-6-13-4-8-15(9-5-13)21-19(23)16-12-14(20)7-10-17(16)24-2/h4-12H,3H2,1-2H3,(H,21,23)/b11-6+.
What are the key properties of ethyl (E)-3-[4-[(5-fluoro-2-methoxybenzoyl)amino]phenyl]prop-2-enoate?
ethyl (E)-3-[4-[(5-fluoro-2-methoxybenzoyl)amino]phenyl]prop-2-enoate has a molecular weight of 343.35 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[4-[(5-fluoro-2-methoxybenzoyl)amino]phenyl]prop-2-enoate is sourced from PubChem (CID 31146550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).