2-[3-(4-fluorophenyl)prop-2-enoylamino]-5-methoxy-N-methylbenzamide

C18H17FN2O3 — CID 72684553

IUPAC2-[3-(4-fluorophenyl)prop-2-enoylamino]-5-methoxy-N-methylbenzamide
SMILESCNC(=O)c1cc(OC)ccc1NC(=O)C=Cc1ccc(F)cc1
InChIInChI=1S/C18H17FN2O3/c1-20-18(23)15-11-14(24-2)8-9-16(15)21-17(22)10-5-12-3-6-13(19)7-4-12/h3-11H,1-2H3,(H,20,23)(H,21,22)
InChIKeyURTQZQNGLAYFPN-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.85
Rot. Bonds5

About 2-[3-(4-fluorophenyl)prop-2-enoylamino]-5-methoxy-N-methylbenzamide

2-[3-(4-fluorophenyl)prop-2-enoylamino]-5-methoxy-N-methylbenzamide (PubChem CID 72684553) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)prop-2-enoylamino]-5-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)prop-2-enoylamino]-5-methoxy-N-methylbenzamide
PubChem CID72684553
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name2-[3-(4-fluorophenyl)prop-2-enoylamino]-5-methoxy-N-methylbenzamide
SMILESCNC(=O)c1cc(OC)ccc1NC(=O)C=Cc1ccc(F)cc1
InChIInChI=1S/C18H17FN2O3/c1-20-18(23)15-11-14(24-2)8-9-16(15)21-17(22)10-5-12-3-6-13(19)7-4-12/h3-11H,1-2H3,(H,20,23)(H,21,22)
InChIKeyURTQZQNGLAYFPN-UHFFFAOYSA-N
XLogP2.85
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.85
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

2-[3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoylamino]-5-methoxy-N-methylbenzamide
CID 72684548
(E)-N-(2-acetamido-5-methoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 60576782
N-(2-bromo-5-methoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 76943432
(E)-N-[2-[(2-aminoacetyl)amino]-4-methoxyphenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 39192678
(E)-N-(2,5-difluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 7770255
5-methoxy-N-methyl-2-[3-(2-nitrophenyl)prop-2-enoylamino]benzamide
CID 72684550
(E)-3-(4-fluorophenyl)-N-[4-[4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]prop-2-enamide
CID 6108914
(E)-N-(2-fluoro-4-methylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 26522932
(E)-N-(2,4-difluorophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 2678857
(E)-3-(4-aminophenyl)-N-(2-hydroxy-4-methoxyphenyl)prop-2-enamide
CID 102695194
(E)-3-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 7769944
(E)-N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 875420

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)prop-2-enoylamino]-5-methoxy-N-methylbenzamide?
The IUPAC name of 2-[3-(4-fluorophenyl)prop-2-enoylamino]-5-methoxy-N-methylbenzamide (CID 72684553) is 2-[3-(4-fluorophenyl)prop-2-enoylamino]-5-methoxy-N-methylbenzamide.
What is the SMILES notation for 2-[3-(4-fluorophenyl)prop-2-enoylamino]-5-methoxy-N-methylbenzamide?
The canonical SMILES for 2-[3-(4-fluorophenyl)prop-2-enoylamino]-5-methoxy-N-methylbenzamide is CNC(=O)c1cc(OC)ccc1NC(=O)C=Cc1ccc(F)cc1.
What is the InChIKey of 2-[3-(4-fluorophenyl)prop-2-enoylamino]-5-methoxy-N-methylbenzamide?
The InChIKey is URTQZQNGLAYFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3/c1-20-18(23)15-11-14(24-2)8-9-16(15)21-17(22)10-5-12-3-6-13(19)7-4-12/h3-11H,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 2-[3-(4-fluorophenyl)prop-2-enoylamino]-5-methoxy-N-methylbenzamide?
2-[3-(4-fluorophenyl)prop-2-enoylamino]-5-methoxy-N-methylbenzamide has a molecular weight of 328.34 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)prop-2-enoylamino]-5-methoxy-N-methylbenzamide is sourced from PubChem (CID 72684553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).