N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide

C18H20FN3O3 — CID 18160151

IUPACN-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
SMILESCCOc1ccc(NC(=O)CNC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FN3O3/c1-2-25-16-9-7-15(8-10-16)22-17(23)12-21-18(24)20-11-13-3-5-14(19)6-4-13/h3-10H,2,11-12H2,1H3,(H,22,23)(H2,20,21,24)
InChIKeyLZSPHMNWCZTVQK-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.66
Rot. Bonds7

About N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide

N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide (PubChem CID 18160151) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
PubChem CID18160151
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC NameN-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
SMILESCCOc1ccc(NC(=O)CNC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FN3O3/c1-2-25-16-9-7-15(8-10-16)22-17(23)12-21-18(24)20-11-13-3-5-14(19)6-4-13/h3-10H,2,11-12H2,1H3,(H,22,23)(H2,20,21,24)
InChIKeyLZSPHMNWCZTVQK-UHFFFAOYSA-N
XLogP2.66
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-ethoxyphenoxy)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 18164688
N'-(4-ethoxyphenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 2202978
N-(4-ethoxyphenyl)-2-(4-fluorophenyl)acetamide
CID 2289388
2-[4-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]phenyl]-N-methylacetamide
CID 86923315
4-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide
CID 9416291
N-[2-(4-ethoxyanilino)-2-oxoethyl]-4-fluorobenzamide
CID 2967136
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 24605074
N-(4-ethoxyphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954809
1-[2-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 3856338
methyl 2-[[2-[4-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]phenyl]acetyl]amino]acetate
CID 55964096
N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylamino]propanamide
CID 109021260
1-(4-fluorophenyl)-3-[(4-propoxyphenyl)methyl]urea
CID 51046163

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide (CID 18160151) is N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide is CCOc1ccc(NC(=O)CNC(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide?
The InChIKey is LZSPHMNWCZTVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-2-25-16-9-7-15(8-10-16)22-17(23)12-21-18(24)20-11-13-3-5-14(19)6-4-13/h3-10H,2,11-12H2,1H3,(H,22,23)(H2,20,21,24).
What are the key properties of N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide?
N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide has a molecular weight of 345.37 g/mol, XLogP of 2.66, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide is sourced from PubChem (CID 18160151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).