N-[4-fluoro-3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]phenyl]acetamide

C18H20FN3O3 — CID 86988363

IUPACN-[4-fluoro-3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]phenyl]acetamide
SMILESCOc1ccc(CN(C)C(=O)Nc2cc(NC(C)=O)ccc2F)cc1
InChIInChI=1S/C18H20FN3O3/c1-12(23)20-14-6-9-16(19)17(10-14)21-18(24)22(2)11-13-4-7-15(25-3)8-5-13/h4-10H,11H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyUGYOIIJRQOARNK-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.46
Rot. Bonds5

About N-[4-fluoro-3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]phenyl]acetamide

N-[4-fluoro-3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]phenyl]acetamide (PubChem CID 86988363) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is N-[4-fluoro-3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-fluoro-3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]phenyl]acetamide
PubChem CID86988363
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC NameN-[4-fluoro-3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]phenyl]acetamide
SMILESCOc1ccc(CN(C)C(=O)Nc2cc(NC(C)=O)ccc2F)cc1
InChIInChI=1S/C18H20FN3O3/c1-12(23)20-14-6-9-16(19)17(10-14)21-18(24)22(2)11-13-4-7-15(25-3)8-5-13/h4-10H,11H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyUGYOIIJRQOARNK-UHFFFAOYSA-N
XLogP3.46
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-fluoro-3-[[(3-fluorophenyl)methyl-methylcarbamoyl]amino]phenyl]acetamide
CID 86988362
N-[4-fluoro-3-[(4-methoxyphenyl)methylamino]phenyl]acetamide
CID 43672523
N-[2-fluoro-5-[(4-methoxyphenyl)methylamino]phenyl]acetamide
CID 60928382
N-[3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-4-methylphenyl]cyclopropanecarboxamide
CID 55742102
N-(5-acetamido-2-fluorophenyl)-N'-benzyl-N'-methyloxamide
CID 87039893
N-[4-fluoro-3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]phenyl]acetamide
CID 86856078
N-(3-acetamido-4-fluorophenyl)-4-methoxybenzamide
CID 52559110
3-(4-aminophenyl)-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 61418141
2-(5-acetamido-2-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 37262693
3-[2-(dimethylamino)phenyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 86988400
2-[(5-acetamido-2-fluorophenyl)carbamoyl-methylamino]-N-tert-butylacetamide
CID 86988353
N-(2,5-difluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8778357

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]phenyl]acetamide?
The IUPAC name of N-[4-fluoro-3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]phenyl]acetamide (CID 86988363) is N-[4-fluoro-3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-fluoro-3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-fluoro-3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]phenyl]acetamide is COc1ccc(CN(C)C(=O)Nc2cc(NC(C)=O)ccc2F)cc1.
What is the InChIKey of N-[4-fluoro-3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]phenyl]acetamide?
The InChIKey is UGYOIIJRQOARNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-12(23)20-14-6-9-16(19)17(10-14)21-18(24)22(2)11-13-4-7-15(25-3)8-5-13/h4-10H,11H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of N-[4-fluoro-3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]phenyl]acetamide?
N-[4-fluoro-3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]phenyl]acetamide has a molecular weight of 345.37 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]phenyl]acetamide is sourced from PubChem (CID 86988363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).