3-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide

C15H21ClFN3O2 — CID 109016616

IUPAC3-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
SMILESO=C(CCNc1ccc(F)c(Cl)c1)NCCN1CCOCC1
InChIInChI=1S/C15H21ClFN3O2/c16-13-11-12(1-2-14(13)17)18-4-3-15(21)19-5-6-20-7-9-22-10-8-20/h1-2,11,18H,3-10H2,(H,19,21)
InChIKeyCDRDHMDOSPKUJY-UHFFFAOYSA-N
MW329.80 g/mol
LogP1.73
Rot. Bonds7

About 3-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide

3-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 109016616) has the molecular formula C15H21ClFN3O2 and a molecular weight of 329.80 g/mol. Its IUPAC name is 3-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID109016616
Molecular FormulaC15H21ClFN3O2
Molecular Weight329.80 g/mol
Exact Mass329.13
IUPAC Name3-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
SMILESO=C(CCNc1ccc(F)c(Cl)c1)NCCN1CCOCC1
InChIInChI=1S/C15H21ClFN3O2/c16-13-11-12(1-2-14(13)17)18-4-3-15(21)19-5-6-20-7-9-22-10-8-20/h1-2,11,18H,3-10H2,(H,19,21)
InChIKeyCDRDHMDOSPKUJY-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

Analyze 3-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016608
N-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016791
3-(4-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016587
2-(3-chloro-4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 134002654
N-(2-morpholin-4-ylethyl)-3-(4-piperidin-1-ylanilino)propanamide
CID 109016647
3-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-morpholin-4-ylethyl)propanamide
CID 109016643
3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 127118554
6-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109344634
1-(3-chloro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 3579443
3-chloro-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 28568493
4-(2,4-dichlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide
CID 4156120
2-[5-[2,6-dichloro-4-(trifluoromethyl)anilino]-2-fluorophenyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 87262022

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 3-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide (CID 109016616) is 3-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 3-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 3-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide is O=C(CCNc1ccc(F)c(Cl)c1)NCCN1CCOCC1.
What is the InChIKey of 3-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is CDRDHMDOSPKUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN3O2/c16-13-11-12(1-2-14(13)17)18-4-3-15(21)19-5-6-20-7-9-22-10-8-20/h1-2,11,18H,3-10H2,(H,19,21).
What are the key properties of 3-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide?
3-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)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 3-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 109016616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).