N-(3,4-dichlorophenyl)-4-morpholin-4-yl-4-oxobutanamide

C14H16Cl2N2O3 — CID 6456922

IUPACN-(3,4-dichlorophenyl)-4-morpholin-4-yl-4-oxobutanamide
SMILESO=C(CCC(=O)N1CCOCC1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2N2O3/c15-11-2-1-10(9-12(11)16)17-13(19)3-4-14(20)18-5-7-21-8-6-18/h1-2,9H,3-8H2,(H,17,19)
InChIKeyZVVAICVVFBYPJQ-UHFFFAOYSA-N
MW331.20 g/mol
LogP2.57
Rot. Bonds4

About N-(3,4-dichlorophenyl)-4-morpholin-4-yl-4-oxobutanamide

N-(3,4-dichlorophenyl)-4-morpholin-4-yl-4-oxobutanamide (PubChem CID 6456922) has the molecular formula C14H16Cl2N2O3 and a molecular weight of 331.20 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-morpholin-4-yl-4-oxobutanamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-morpholin-4-yl-4-oxobutanamide
PubChem CID6456922
Molecular FormulaC14H16Cl2N2O3
Molecular Weight331.20 g/mol
Exact Mass330.05
IUPAC NameN-(3,4-dichlorophenyl)-4-morpholin-4-yl-4-oxobutanamide
SMILESO=C(CCC(=O)N1CCOCC1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2N2O3/c15-11-2-1-10(9-12(11)16)17-13(19)3-4-14(20)18-5-7-21-8-6-18/h1-2,9H,3-8H2,(H,17,19)
InChIKeyZVVAICVVFBYPJQ-UHFFFAOYSA-N
XLogP2.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide
CID 78835221
4-morpholin-4-yl-4-oxo-N-phenylbutanamide
CID 9341047
N-(3-chloro-4-methylphenyl)-3-morpholin-4-yl-3-oxopropanamide
CID 108943529
N-(3-iodophenyl)-4-morpholin-4-yl-4-oxobutanamide
CID 47102072
4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3,4-dichlorophenyl)-4-oxobutanamide
CID 26577423
4-morpholin-4-yl-4-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbutanamide
CID 17476459
N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazin-1-yl)-4-oxobutanamide
CID 3655921
N-(3-chloro-4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanamide
CID 108943532
N-(3,4-dichlorophenyl)morpholine-4-carbothioamide
CID 773259
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-morpholin-4-yl-4-oxobutanamide
CID 9440403
2-(3,4-dichlorophenyl)-1-morpholin-4-ylethanone
CID 1485657
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711400

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-morpholin-4-yl-4-oxobutanamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4-morpholin-4-yl-4-oxobutanamide (CID 6456922) is N-(3,4-dichlorophenyl)-4-morpholin-4-yl-4-oxobutanamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-morpholin-4-yl-4-oxobutanamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-morpholin-4-yl-4-oxobutanamide is O=C(CCC(=O)N1CCOCC1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-morpholin-4-yl-4-oxobutanamide?
The InChIKey is ZVVAICVVFBYPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O3/c15-11-2-1-10(9-12(11)16)17-13(19)3-4-14(20)18-5-7-21-8-6-18/h1-2,9H,3-8H2,(H,17,19).
What are the key properties of N-(3,4-dichlorophenyl)-4-morpholin-4-yl-4-oxobutanamide?
N-(3,4-dichlorophenyl)-4-morpholin-4-yl-4-oxobutanamide has a molecular weight of 331.20 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-morpholin-4-yl-4-oxobutanamide is sourced from PubChem (CID 6456922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).