N-[3-[2-(3-fluorophenyl)ethylcarbamoylamino]phenyl]acetamide

C17H18FN3O2 — CID 51290594

IUPACN-[3-[2-(3-fluorophenyl)ethylcarbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)NCCc2cccc(F)c2)c1
InChIInChI=1S/C17H18FN3O2/c1-12(22)20-15-6-3-7-16(11-15)21-17(23)19-9-8-13-4-2-5-14(18)10-13/h2-7,10-11H,8-9H2,1H3,(H,20,22)(H2,19,21,23)
InChIKeyUFGMZOOGHKQCAJ-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.15
Rot. Bonds5

About N-[3-[2-(3-fluorophenyl)ethylcarbamoylamino]phenyl]acetamide

N-[3-[2-(3-fluorophenyl)ethylcarbamoylamino]phenyl]acetamide (PubChem CID 51290594) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is N-[3-[2-(3-fluorophenyl)ethylcarbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(3-fluorophenyl)ethylcarbamoylamino]phenyl]acetamide
PubChem CID51290594
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC NameN-[3-[2-(3-fluorophenyl)ethylcarbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)NCCc2cccc(F)c2)c1
InChIInChI=1S/C17H18FN3O2/c1-12(22)20-15-6-3-7-16(11-15)21-17(23)19-9-8-13-4-2-5-14(18)10-13/h2-7,10-11H,8-9H2,1H3,(H,20,22)(H2,19,21,23)
InChIKeyUFGMZOOGHKQCAJ-UHFFFAOYSA-N
XLogP3.15
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-fluorophenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 108901125
1-(3,4-dimethoxyphenyl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 51290602
N-[3-[2-(4-methylphenyl)ethylcarbamoylamino]phenyl]acetamide
CID 108884258
4-[2-(3-fluorophenyl)ethylcarbamoylamino]benzoic acid
CID 108901120
1-(3-fluoro-4-methylsulfinylphenyl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 71865565
1-(1,3-benzodioxol-5-yl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 51290583
1-[2-(4-fluorophenyl)ethyl]-3-[3-(phenylcarbamoylamino)phenyl]urea
CID 52596306
1-(2,4-difluorophenyl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 46647390
1-[4-(difluoromethoxy)phenyl]-3-[2-(3-fluorophenyl)ethyl]urea
CID 11573369
N-[3-[2-(1,3-benzodioxol-5-yl)ethylcarbamoylamino]phenyl]acetamide
CID 113217399
N-[2-[2-(3-fluorophenyl)ethylamino]ethyl]acetamide
CID 103605841
(2R)-N-[2-(3-fluorophenyl)ethyl]-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 32934158

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3-fluorophenyl)ethylcarbamoylamino]phenyl]acetamide?
The IUPAC name of N-[3-[2-(3-fluorophenyl)ethylcarbamoylamino]phenyl]acetamide (CID 51290594) is N-[3-[2-(3-fluorophenyl)ethylcarbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-(3-fluorophenyl)ethylcarbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[2-(3-fluorophenyl)ethylcarbamoylamino]phenyl]acetamide is CC(=O)Nc1cccc(NC(=O)NCCc2cccc(F)c2)c1.
What is the InChIKey of N-[3-[2-(3-fluorophenyl)ethylcarbamoylamino]phenyl]acetamide?
The InChIKey is UFGMZOOGHKQCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-12(22)20-15-6-3-7-16(11-15)21-17(23)19-9-8-13-4-2-5-14(18)10-13/h2-7,10-11H,8-9H2,1H3,(H,20,22)(H2,19,21,23).
What are the key properties of N-[3-[2-(3-fluorophenyl)ethylcarbamoylamino]phenyl]acetamide?
N-[3-[2-(3-fluorophenyl)ethylcarbamoylamino]phenyl]acetamide has a molecular weight of 315.35 g/mol, XLogP of 3.15, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3-fluorophenyl)ethylcarbamoylamino]phenyl]acetamide is sourced from PubChem (CID 51290594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).