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

C17H17F2N3O2 — CID 86988362

IUPACN-[4-fluoro-3-[[(3-fluorophenyl)methyl-methylcarbamoyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NC(=O)N(C)Cc2cccc(F)c2)c1
InChIInChI=1S/C17H17F2N3O2/c1-11(23)20-14-6-7-15(19)16(9-14)21-17(24)22(2)10-12-4-3-5-13(18)8-12/h3-9H,10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyOGACZHJOOVWXDH-UHFFFAOYSA-N
MW333.34 g/mol
LogP3.59
Rot. Bonds4

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

N-[4-fluoro-3-[[(3-fluorophenyl)methyl-methylcarbamoyl]amino]phenyl]acetamide (PubChem CID 86988362) has the molecular formula C17H17F2N3O2 and a molecular weight of 333.34 g/mol. Its IUPAC name is N-[4-fluoro-3-[[(3-fluorophenyl)methyl-methylcarbamoyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-fluoro-3-[[(3-fluorophenyl)methyl-methylcarbamoyl]amino]phenyl]acetamide
PubChem CID86988362
Molecular FormulaC17H17F2N3O2
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC NameN-[4-fluoro-3-[[(3-fluorophenyl)methyl-methylcarbamoyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NC(=O)N(C)Cc2cccc(F)c2)c1
InChIInChI=1S/C17H17F2N3O2/c1-11(23)20-14-6-7-15(19)16(9-14)21-17(24)22(2)10-12-4-3-5-13(18)8-12/h3-9H,10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyOGACZHJOOVWXDH-UHFFFAOYSA-N
XLogP3.59
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-fluoro-3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]phenyl]acetamide
CID 86988363
N-(5-acetamido-2-fluorophenyl)-N'-benzyl-N'-methyloxamide
CID 87039893
1-[(3-fluorophenyl)methyl]-1-methyl-3-(4-methylsulfanylphenyl)urea
CID 86988074
2-(4-acetamidophenyl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 27827477
3-(3,4-dimethoxyphenyl)-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 86986919
1-[(3-fluorophenyl)methyl]-1-methyl-3-[3-(phenylcarbamoylamino)phenyl]urea
CID 86988170
3-(3-chloro-2-methylphenyl)-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 86986587
1-[(3-fluorophenyl)methyl]-3-[3-(methoxymethyl)phenyl]-1-methylurea
CID 86988690
1-[(3-fluorophenyl)methyl]-1-methyl-3-(4-nitrophenyl)urea
CID 86976512
3-[4-(cyanomethyl)phenyl]-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 86987977
N-[4-fluoro-3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]phenyl]acetamide
CID 86856078
2-[(5-acetamido-2-fluorophenyl)carbamoyl-methylamino]-N-tert-butylacetamide
CID 86988353

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-[[(3-fluorophenyl)methyl-methylcarbamoyl]amino]phenyl]acetamide?
The IUPAC name of N-[4-fluoro-3-[[(3-fluorophenyl)methyl-methylcarbamoyl]amino]phenyl]acetamide (CID 86988362) is N-[4-fluoro-3-[[(3-fluorophenyl)methyl-methylcarbamoyl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-fluoro-3-[[(3-fluorophenyl)methyl-methylcarbamoyl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-fluoro-3-[[(3-fluorophenyl)methyl-methylcarbamoyl]amino]phenyl]acetamide is CC(=O)Nc1ccc(F)c(NC(=O)N(C)Cc2cccc(F)c2)c1.
What is the InChIKey of N-[4-fluoro-3-[[(3-fluorophenyl)methyl-methylcarbamoyl]amino]phenyl]acetamide?
The InChIKey is OGACZHJOOVWXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O2/c1-11(23)20-14-6-7-15(19)16(9-14)21-17(24)22(2)10-12-4-3-5-13(18)8-12/h3-9H,10H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-[4-fluoro-3-[[(3-fluorophenyl)methyl-methylcarbamoyl]amino]phenyl]acetamide?
N-[4-fluoro-3-[[(3-fluorophenyl)methyl-methylcarbamoyl]amino]phenyl]acetamide has a molecular weight of 333.34 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-[[(3-fluorophenyl)methyl-methylcarbamoyl]amino]phenyl]acetamide is sourced from PubChem (CID 86988362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).