N-(3-chloro-2-morpholin-4-ylphenyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide

C22H25ClN2O3 — CID 41270500

IUPACN-(3-chloro-2-morpholin-4-ylphenyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
SMILESCc1ccc(C)c(C(=O)CCC(=O)Nc2cccc(Cl)c2N2CCOCC2)c1
InChIInChI=1S/C22H25ClN2O3/c1-15-6-7-16(2)17(14-15)20(26)8-9-21(27)24-19-5-3-4-18(23)22(19)25-10-12-28-13-11-25/h3-7,14H,8-13H2,1-2H3,(H,24,27)
InChIKeyBBISKZGMFVMTHH-UHFFFAOYSA-N
MW400.91 g/mol
LogP4.40
Rot. Bonds6

About N-(3-chloro-2-morpholin-4-ylphenyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide

N-(3-chloro-2-morpholin-4-ylphenyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide (PubChem CID 41270500) has the molecular formula C22H25ClN2O3 and a molecular weight of 400.91 g/mol. Its IUPAC name is N-(3-chloro-2-morpholin-4-ylphenyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(3-chloro-2-morpholin-4-ylphenyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
PubChem CID41270500
Molecular FormulaC22H25ClN2O3
Molecular Weight400.91 g/mol
Exact Mass400.16
IUPAC NameN-(3-chloro-2-morpholin-4-ylphenyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
SMILESCc1ccc(C)c(C(=O)CCC(=O)Nc2cccc(Cl)c2N2CCOCC2)c1
InChIInChI=1S/C22H25ClN2O3/c1-15-6-7-16(2)17(14-15)20(26)8-9-21(27)24-19-5-3-4-18(23)22(19)25-10-12-28-13-11-25/h3-7,14H,8-13H2,1-2H3,(H,24,27)
InChIKeyBBISKZGMFVMTHH-UHFFFAOYSA-N
XLogP4.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,5-dimethylphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide
CID 17459754
N-(3-chloro-2-morpholin-4-ylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 41270501
4-(2-chlorophenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide
CID 110425325
2-(4-chloro-3-methylphenoxy)-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide
CID 3894786
7-amino-N-(3-chloro-2-morpholin-4-ylphenyl)heptanamide;dihydrochloride
CID 119840505
N-(3-chloro-2-morpholin-4-ylphenyl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 167828485
N-(3-chloro-2-morpholin-4-ylphenyl)-4-(2-ethoxyphenoxy)butanamide
CID 41270735
N-(3-chloro-2-morpholin-4-ylphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 24603908
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 7212949
2-chloro-N-(3-chloro-2-morpholin-4-ylphenyl)-5-iodobenzamide
CID 3968174
[2-(2-chloroanilino)-2-oxoethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 7212798
N-(3-chloro-2-morpholin-4-ylphenyl)-2-thiophen-3-ylacetamide
CID 18141754

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide?
The IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide (CID 41270500) is N-(3-chloro-2-morpholin-4-ylphenyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-(3-chloro-2-morpholin-4-ylphenyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide?
The canonical SMILES for N-(3-chloro-2-morpholin-4-ylphenyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide is Cc1ccc(C)c(C(=O)CCC(=O)Nc2cccc(Cl)c2N2CCOCC2)c1.
What is the InChIKey of N-(3-chloro-2-morpholin-4-ylphenyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide?
The InChIKey is BBISKZGMFVMTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O3/c1-15-6-7-16(2)17(14-15)20(26)8-9-21(27)24-19-5-3-4-18(23)22(19)25-10-12-28-13-11-25/h3-7,14H,8-13H2,1-2H3,(H,24,27).
What are the key properties of N-(3-chloro-2-morpholin-4-ylphenyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide?
N-(3-chloro-2-morpholin-4-ylphenyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide has a molecular weight of 400.91 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-morpholin-4-ylphenyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide is sourced from PubChem (CID 41270500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).