N-(4-fluorophenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide

C17H18FN3O2 — CID 113059339

IUPACN-(4-fluorophenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
SMILESCC(=O)N(CCNC(=O)Nc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H18FN3O2/c1-13(22)21(16-9-7-14(18)8-10-16)12-11-19-17(23)20-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H2,19,20,23)
InChIKeyJHWVVOWMQOTYBA-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.00
Rot. Bonds5

About N-(4-fluorophenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide

N-(4-fluorophenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide (PubChem CID 113059339) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
PubChem CID113059339
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC NameN-(4-fluorophenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
SMILESCC(=O)N(CCNC(=O)Nc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H18FN3O2/c1-13(22)21(16-9-7-14(18)8-10-16)12-11-19-17(23)20-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H2,19,20,23)
InChIKeyJHWVVOWMQOTYBA-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-(2-fluorophenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113059217
N-[2-(N-acetyl-4-fluoroanilino)ethyl]acetamide
CID 113059276
N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(4-fluorophenyl)acetamide
CID 113059350
methyl N-[2-(N-acetyl-4-fluoroanilino)ethyl]carbamate
CID 113059341
N-(2-ethoxyphenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113060788
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-(2-fluorophenyl)acetamide
CID 113059334
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-chlorobenzamide
CID 113059321
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2,2-dimethylpropanamide
CID 113059285
N-benzyl-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113054043
N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-phenylacetamide
CID 113061825
N-[2-[4-fluoro-N-(phenylcarbamoyl)anilino]ethyl]-4-methylbenzamide
CID 42705451
N-[2-(N,4-diacetylanilino)ethyl]-4-fluorobenzamide
CID 113061648

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide (CID 113059339) is N-(4-fluorophenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide is CC(=O)N(CCNC(=O)Nc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide?
The InChIKey is JHWVVOWMQOTYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-13(22)21(16-9-7-14(18)8-10-16)12-11-19-17(23)20-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H2,19,20,23).
What are the key properties of N-(4-fluorophenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide?
N-(4-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-(4-fluorophenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide is sourced from PubChem (CID 113059339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).