2-(5-acetamido-2-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide

C18H20FN3O3 — CID 37262693

IUPAC2-(5-acetamido-2-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CNc2cc(NC(C)=O)ccc2F)cc1
InChIInChI=1S/C18H20FN3O3/c1-12(23)22-14-5-8-16(19)17(9-14)20-11-18(24)21-10-13-3-6-15(25-2)7-4-13/h3-9,20H,10-11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyLUSAVUCUHDIUBK-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.52
Rot. Bonds7

About 2-(5-acetamido-2-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide

2-(5-acetamido-2-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 37262693) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-(5-acetamido-2-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-acetamido-2-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID37262693
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name2-(5-acetamido-2-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CNc2cc(NC(C)=O)ccc2F)cc1
InChIInChI=1S/C18H20FN3O3/c1-12(23)22-14-5-8-16(19)17(9-14)20-11-18(24)21-10-13-3-6-15(25-2)7-4-13/h3-9,20H,10-11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyLUSAVUCUHDIUBK-UHFFFAOYSA-N
XLogP2.52
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(5-acetamido-2-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-fluoro-3-[(4-methoxyphenyl)methylamino]phenyl]acetamide
CID 43672523
N-[2-fluoro-5-[(4-methoxyphenyl)methylamino]phenyl]acetamide
CID 60928382
2-(5-acetamido-2-methylanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 60537701
2-(5-acetamido-2-fluoroanilino)-N-(5-acetamido-2-methoxyphenyl)acetamide
CID 37279177
N-[4-chloro-3-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]phenyl]butanamide
CID 54831206
2-(5-acetamido-2-chloroanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 56787287
2-(2-chloro-4-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 26437643
2-(5-acetamido-2-methoxyanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 31673267
N-[4-fluoro-3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]phenyl]acetamide
CID 86988363
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
N-[(4-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyanilino)acetamide
CID 47064115
N-(3-acetamido-4-fluorophenyl)-4-methoxybenzamide
CID 52559110

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetamido-2-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(5-acetamido-2-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide (CID 37262693) is 2-(5-acetamido-2-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(5-acetamido-2-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(5-acetamido-2-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CNc2cc(NC(C)=O)ccc2F)cc1.
What is the InChIKey of 2-(5-acetamido-2-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is LUSAVUCUHDIUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-12(23)22-14-5-8-16(19)17(9-14)20-11-18(24)21-10-13-3-6-15(25-2)7-4-13/h3-9,20H,10-11H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 2-(5-acetamido-2-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide?
2-(5-acetamido-2-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 345.37 g/mol, XLogP of 2.52, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetamido-2-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 37262693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).