N-(2-fluorophenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide

C17H18FN3O2 — CID 113059217

IUPACN-(2-fluorophenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
SMILESCC(=O)N(CCNC(=O)Nc1ccccc1)c1ccccc1F
InChIInChI=1S/C17H18FN3O2/c1-13(22)21(16-10-6-5-9-15(16)18)12-11-19-17(23)20-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H2,19,20,23)
InChIKeyCAMLMHVDMSDRTA-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.00
Rot. Bonds5

About N-(2-fluorophenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide

N-(2-fluorophenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide (PubChem CID 113059217) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
PubChem CID113059217
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC NameN-(2-fluorophenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
SMILESCC(=O)N(CCNC(=O)Nc1ccccc1)c1ccccc1F
InChIInChI=1S/C17H18FN3O2/c1-13(22)21(16-10-6-5-9-15(16)18)12-11-19-17(23)20-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H2,19,20,23)
InChIKeyCAMLMHVDMSDRTA-UHFFFAOYSA-N
XLogP3.00
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluorophenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113059339
N-(2-ethoxyphenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113060788
1-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3-phenylurea
CID 113069700
N-[2-(N-acetyl-2-fluoroanilino)ethyl]-4-tert-butylbenzamide
CID 113059185
N-(2,4-dimethoxyphenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113061264
N-[2-(N-acetyl-2-fluoroanilino)ethyl]-3,4-dimethylbenzamide
CID 113059183
N-[2-(N-acetyl-2-fluoroanilino)ethyl]-2,6-dimethoxybenzamide
CID 113059182
N-benzyl-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113054043
methyl 3-[acetyl-[2-(phenylcarbamoylamino)ethyl]amino]-4-chlorobenzoate
CID 113062106
N-tert-butyl-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113056611
3-(N-acetyl-2-fluoroanilino)-N-benzylpropanamide
CID 113126653
N-[2-(N-acetyl-2-methylanilino)ethyl]-2-fluorobenzamide
CID 113057297

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide (CID 113059217) is N-(2-fluorophenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide is CC(=O)N(CCNC(=O)Nc1ccccc1)c1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide?
The InChIKey is CAMLMHVDMSDRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-13(22)21(16-10-6-5-9-15(16)18)12-11-19-17(23)20-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H2,19,20,23).
What are the key properties of N-(2-fluorophenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide?
N-(2-fluorophenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide has a molecular weight of 315.35 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide is sourced from PubChem (CID 113059217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).