N-[4-fluoro-3-(2-morpholin-4-ylpropylcarbamoylamino)phenyl]acetamide

C16H23FN4O3 — CID 86988320

IUPACN-[4-fluoro-3-(2-morpholin-4-ylpropylcarbamoylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NC(=O)NCC(C)N2CCOCC2)c1
InChIInChI=1S/C16H23FN4O3/c1-11(21-5-7-24-8-6-21)10-18-16(23)20-15-9-13(19-12(2)22)3-4-14(15)17/h3-4,9,11H,5-8,10H2,1-2H3,(H,19,22)(H2,18,20,23)
InChIKeyPKNHLKDJKGJGDP-UHFFFAOYSA-N
MW338.38 g/mol
LogP1.63
Rot. Bonds5

About N-[4-fluoro-3-(2-morpholin-4-ylpropylcarbamoylamino)phenyl]acetamide

N-[4-fluoro-3-(2-morpholin-4-ylpropylcarbamoylamino)phenyl]acetamide (PubChem CID 86988320) has the molecular formula C16H23FN4O3 and a molecular weight of 338.38 g/mol. Its IUPAC name is N-[4-fluoro-3-(2-morpholin-4-ylpropylcarbamoylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(2-morpholin-4-ylpropylcarbamoylamino)phenyl]acetamide
PubChem CID86988320
Molecular FormulaC16H23FN4O3
Molecular Weight338.38 g/mol
Exact Mass338.18
IUPAC NameN-[4-fluoro-3-(2-morpholin-4-ylpropylcarbamoylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NC(=O)NCC(C)N2CCOCC2)c1
InChIInChI=1S/C16H23FN4O3/c1-11(21-5-7-24-8-6-21)10-18-16(23)20-15-9-13(19-12(2)22)3-4-14(15)17/h3-4,9,11H,5-8,10H2,1-2H3,(H,19,22)(H2,18,20,23)
InChIKeyPKNHLKDJKGJGDP-UHFFFAOYSA-N
XLogP1.63
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromo-4-fluorophenyl)-3-(2-morpholin-4-ylpropyl)urea
CID 51116711
N-[3-[(3-ethyl-2-pyrrolidin-1-ylpentyl)carbamoylamino]-4-fluorophenyl]acetamide
CID 47033519
1-(4-fluoro-2-pyrrol-1-ylphenyl)-3-(2-morpholin-4-ylpropyl)urea
CID 75449677
1-[1-(2-morpholin-4-ylethyl)indol-5-yl]-3-(2-morpholin-4-ylpropyl)urea
CID 56556947
N-(3,4-difluorophenyl)-2-morpholin-4-ylpropanamide
CID 46630811
1-(2,4-difluorophenyl)-3-(3-methyl-2-morpholin-4-ylbutyl)urea
CID 42938134
N-[2-methoxy-4-[(4-methyl-2-morpholin-4-ylpentyl)carbamoylamino]phenyl]acetamide
CID 55744114
N-[4-(2-morpholin-4-ylpropylsulfamoyl)phenyl]acetamide
CID 43064581
N-(5-acetamido-2-fluorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119705048
N-[4-fluoro-3-(2-morpholin-4-ylpropanoylamino)phenyl]-4-phenylbenzamide
CID 123219708
(2R)-N-(5-acetamido-2-fluorophenyl)-2-aminopropanamide;hydrochloride
CID 119279500
(2S)-2-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-methylpentanamide
CID 119849290

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(2-morpholin-4-ylpropylcarbamoylamino)phenyl]acetamide?
The IUPAC name of N-[4-fluoro-3-(2-morpholin-4-ylpropylcarbamoylamino)phenyl]acetamide (CID 86988320) is N-[4-fluoro-3-(2-morpholin-4-ylpropylcarbamoylamino)phenyl]acetamide.
What is the SMILES notation for N-[4-fluoro-3-(2-morpholin-4-ylpropylcarbamoylamino)phenyl]acetamide?
The canonical SMILES for N-[4-fluoro-3-(2-morpholin-4-ylpropylcarbamoylamino)phenyl]acetamide is CC(=O)Nc1ccc(F)c(NC(=O)NCC(C)N2CCOCC2)c1.
What is the InChIKey of N-[4-fluoro-3-(2-morpholin-4-ylpropylcarbamoylamino)phenyl]acetamide?
The InChIKey is PKNHLKDJKGJGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O3/c1-11(21-5-7-24-8-6-21)10-18-16(23)20-15-9-13(19-12(2)22)3-4-14(15)17/h3-4,9,11H,5-8,10H2,1-2H3,(H,19,22)(H2,18,20,23).
What are the key properties of N-[4-fluoro-3-(2-morpholin-4-ylpropylcarbamoylamino)phenyl]acetamide?
N-[4-fluoro-3-(2-morpholin-4-ylpropylcarbamoylamino)phenyl]acetamide has a molecular weight of 338.38 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(2-morpholin-4-ylpropylcarbamoylamino)phenyl]acetamide is sourced from PubChem (CID 86988320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).