N-(2,4-dichlorophenyl)-3-morpholin-4-ylbutanamide

C14H18Cl2N2O2 — CID 3065025

IUPACN-(2,4-dichlorophenyl)-3-morpholin-4-ylbutanamide
SMILESCC(CC(=O)Nc1ccc(Cl)cc1Cl)N1CCOCC1
InChIInChI=1S/C14H18Cl2N2O2/c1-10(18-4-6-20-7-5-18)8-14(19)17-13-3-2-11(15)9-12(13)16/h2-3,9-10H,4-8H2,1H3,(H,17,19)
InChIKeyYKJQBLPQVMMWLH-UHFFFAOYSA-N
MW317.22 g/mol
LogP3.04
Rot. Bonds4

About N-(2,4-dichlorophenyl)-3-morpholin-4-ylbutanamide

N-(2,4-dichlorophenyl)-3-morpholin-4-ylbutanamide (PubChem CID 3065025) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-3-morpholin-4-ylbutanamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-3-morpholin-4-ylbutanamide
PubChem CID3065025
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC NameN-(2,4-dichlorophenyl)-3-morpholin-4-ylbutanamide
SMILESCC(CC(=O)Nc1ccc(Cl)cc1Cl)N1CCOCC1
InChIInChI=1S/C14H18Cl2N2O2/c1-10(18-4-6-20-7-5-18)8-14(19)17-13-3-2-11(15)9-12(13)16/h2-3,9-10H,4-8H2,1H3,(H,17,19)
InChIKeyYKJQBLPQVMMWLH-UHFFFAOYSA-N
XLogP3.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(2,4-dichlorophenyl)-3-piperidin-1-ylbutanamide
CID 76959171
4-(2,5-dichloroanilino)-2-morpholin-4-yl-4-oxobutanoic acid
CID 3377027
N-(2,4-dichlorophenyl)-2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]propanamide
CID 112770369
N-(2-amino-4-chlorophenyl)-2-morpholin-4-ylpropanamide
CID 16779290
N-(2,4-dichlorophenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105994
N-(2,4-dichlorophenyl)propanamide
CID 923083
N'-butan-2-yl-N-(2,4-dichlorophenyl)propanediamide
CID 108941910
methyl 2-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfanylpropanoate
CID 78842724
N-(2,4-dichlorophenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 27825531
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782622
3-(2,4-dichlorophenyl)-3-morpholin-4-ylpropanoic acid
CID 64527920
(2S)-2-(4-acetylpiperazin-1-yl)-N-(2,4-dichlorophenyl)propanamide
CID 2690225

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-3-morpholin-4-ylbutanamide?
The IUPAC name of N-(2,4-dichlorophenyl)-3-morpholin-4-ylbutanamide (CID 3065025) is N-(2,4-dichlorophenyl)-3-morpholin-4-ylbutanamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-3-morpholin-4-ylbutanamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-3-morpholin-4-ylbutanamide is CC(CC(=O)Nc1ccc(Cl)cc1Cl)N1CCOCC1.
What is the InChIKey of N-(2,4-dichlorophenyl)-3-morpholin-4-ylbutanamide?
The InChIKey is YKJQBLPQVMMWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c1-10(18-4-6-20-7-5-18)8-14(19)17-13-3-2-11(15)9-12(13)16/h2-3,9-10H,4-8H2,1H3,(H,17,19).
What are the key properties of N-(2,4-dichlorophenyl)-3-morpholin-4-ylbutanamide?
N-(2,4-dichlorophenyl)-3-morpholin-4-ylbutanamide has a molecular weight of 317.22 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-3-morpholin-4-ylbutanamide is sourced from PubChem (CID 3065025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).