N-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)propanamide

C15H21ClFN3O2 — CID 109016791

IUPACN-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)propanamide
SMILESO=C(CCNCCN1CCOCC1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H21ClFN3O2/c16-13-11-12(1-2-14(13)17)19-15(21)3-4-18-5-6-20-7-9-22-10-8-20/h1-2,11,18H,3-10H2,(H,19,21)
InChIKeyQVTRIVYICSNNGP-UHFFFAOYSA-N
MW329.80 g/mol
LogP1.73
Rot. Bonds7

About N-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)propanamide

N-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)propanamide (PubChem CID 109016791) has the molecular formula C15H21ClFN3O2 and a molecular weight of 329.80 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)propanamide
PubChem CID109016791
Molecular FormulaC15H21ClFN3O2
Molecular Weight329.80 g/mol
Exact Mass329.13
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)propanamide
SMILESO=C(CCNCCN1CCOCC1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H21ClFN3O2/c16-13-11-12(1-2-14(13)17)19-15(21)3-4-18-5-6-20-7-9-22-10-8-20/h1-2,11,18H,3-10H2,(H,19,21)
InChIKeyQVTRIVYICSNNGP-UHFFFAOYSA-N
XLogP1.73
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.80
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016616
3-(2-morpholin-4-ylethylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 109016776
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016826
N-[4-(diethylamino)phenyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016821
1-(3-chloro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 3579443
3-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]propanamide
CID 119849282
N-(3-fluorophenyl)-2-(2-morpholin-4-ylethylamino)acetamide
CID 28583111
2-(3-chloro-4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 134002654
(2R)-N-(3-chloro-4-fluorophenyl)-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
CID 95715007
N-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016754
6-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109344634
4-chloro-N-(2-morpholin-4-ylethyl)aniline
CID 28580807

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)propanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)propanamide (CID 109016791) is N-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)propanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)propanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)propanamide is O=C(CCNCCN1CCOCC1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)propanamide?
The InChIKey is QVTRIVYICSNNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN3O2/c16-13-11-12(1-2-14(13)17)19-15(21)3-4-18-5-6-20-7-9-22-10-8-20/h1-2,11,18H,3-10H2,(H,19,21).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)propanamide?
N-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)propanamide has a molecular weight of 329.80 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)propanamide is sourced from PubChem (CID 109016791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).