3-[4-[1-[[2-(3,4-dichloro-N-methylanilino)acetyl]-methylamino]-2-morpholin-4-ylethyl]phenyl]-N-methylbenzamide

C30H34Cl2N4O3 — CID 57488881

IUPAC3-[4-[1-[[2-(3,4-dichloro-N-methylanilino)acetyl]-methylamino]-2-morpholin-4-ylethyl]phenyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2ccc(C(CN3CCOCC3)N(C)C(=O)CN(C)c3ccc(Cl)c(Cl)c3)cc2)c1
InChIInChI=1S/C30H34Cl2N4O3/c1-33-30(38)24-6-4-5-23(17-24)21-7-9-22(10-8-21)28(19-36-13-15-39-16-14-36)35(3)29(37)20-34(2)25-11-12-26(31)27(32)18-25/h4-12,17-18,28H,13-16,19-20H2,1-3H3,(H,33,38)
InChIKeyONSZPUIIPWQZES-UHFFFAOYSA-N
MW569.53 g/mol
LogP4.99
Rot. Bonds9

About 3-[4-[1-[[2-(3,4-dichloro-N-methylanilino)acetyl]-methylamino]-2-morpholin-4-ylethyl]phenyl]-N-methylbenzamide

3-[4-[1-[[2-(3,4-dichloro-N-methylanilino)acetyl]-methylamino]-2-morpholin-4-ylethyl]phenyl]-N-methylbenzamide (PubChem CID 57488881) has the molecular formula C30H34Cl2N4O3 and a molecular weight of 569.53 g/mol. Its IUPAC name is 3-[4-[1-[[2-(3,4-dichloro-N-methylanilino)acetyl]-methylamino]-2-morpholin-4-ylethyl]phenyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[4-[1-[[2-(3,4-dichloro-N-methylanilino)acetyl]-methylamino]-2-morpholin-4-ylethyl]phenyl]-N-methylbenzamide
PubChem CID57488881
Molecular FormulaC30H34Cl2N4O3
Molecular Weight569.53 g/mol
Exact Mass568.20
IUPAC Name3-[4-[1-[[2-(3,4-dichloro-N-methylanilino)acetyl]-methylamino]-2-morpholin-4-ylethyl]phenyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2ccc(C(CN3CCOCC3)N(C)C(=O)CN(C)c3ccc(Cl)c(Cl)c3)cc2)c1
InChIInChI=1S/C30H34Cl2N4O3/c1-33-30(38)24-6-4-5-23(17-24)21-7-9-22(10-8-21)28(19-36-13-15-39-16-14-36)35(3)29(37)20-34(2)25-11-12-26(31)27(32)18-25/h4-12,17-18,28H,13-16,19-20H2,1-3H3,(H,33,38)
InChIKeyONSZPUIIPWQZES-UHFFFAOYSA-N
XLogP4.99
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.53
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-[1-[[2-(3,4-dichloro-N-methylanilino)acetyl]-methylamino]-2-morpholin-4-ylethyl]phenyl]-N-methylbenzamide 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-[1-[[2-[3,4-dichloro-N-(2-methoxyethyl)anilino]acetyl]-methylamino]-2-morpholin-4-ylethyl]phenyl]-N-methylbenzamide
CID 57488935
2-(3,4-dichloro-N-methylanilino)-N-methyl-N-[1-[4-[3-(morpholine-4-carbonyl)phenyl]phenyl]-2-pyrrolidin-1-ylethyl]acetamide
CID 59809646
3-[4-[1-[[2-[3,4-dichloro-N-(2-methoxyethyl)anilino]acetyl]-methylamino]-2-morpholin-4-ylethyl]phenyl]-N,N-dimethylbenzamide
CID 57488938
2-(3,4-dichloro-N-methylanilino)-N-[1-[3-(4-methoxyphenyl)phenyl]-2-pyrrolidin-1-ylethyl]-N-methylacetamide
CID 46940758
N-cyclopropyl-4-[4-[1-[[2-(3,4-dichloro-N-methylanilino)acetyl]-methylamino]-2-pyrrolidin-1-ylethyl]phenyl]benzamide
CID 46940582
4-[4-[1-[[2-[3,4-dichloro-N-(cyanomethyl)anilino]acetyl]-methylamino]-2-morpholin-4-ylethyl]phenyl]benzamide
CID 57488888
2-[3,4-dichloro-N-(cyanomethyl)anilino]-N-methyl-N-[2-morpholin-4-yl-1-(4-thiophen-3-ylphenyl)ethyl]acetamide
CID 142734315
3-[4-[1-[[3-[3,4-dichloro-N-(2-methoxyethyl)anilino]-2-oxopropyl]amino]-2-morpholin-4-ylethyl]phenyl]-N,N-dimethylbenzamide
CID 68514775
2-[4-[1-[[2-[3,4-dichloro-N-(cyanomethyl)anilino]acetyl]-methylamino]-2-morpholin-4-ylethyl]phenyl]benzamide
CID 57488883
3-[4-[2-[[2-(3,4-dichloro-N-methylanilino)acetyl]-methylamino]-2-pyrrolidin-1-ylethyl]phenyl]-N-propan-2-ylbenzamide
CID 68898595
2-(6,7-dichloro-2-oxoquinoxalin-1-yl)-N-methyl-N-[2-morpholin-4-yl-1-(4-phenylphenyl)ethyl]acetamide
CID 46940931
N-[1-[4-(3-aminophenyl)phenyl]-2-morpholin-4-ylethyl]-2-(6,7-dichloro-3-oxo-1,4-benzoxazin-4-yl)-N-methylacetamide
CID 57489027

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-[[2-(3,4-dichloro-N-methylanilino)acetyl]-methylamino]-2-morpholin-4-ylethyl]phenyl]-N-methylbenzamide?
The IUPAC name of 3-[4-[1-[[2-(3,4-dichloro-N-methylanilino)acetyl]-methylamino]-2-morpholin-4-ylethyl]phenyl]-N-methylbenzamide (CID 57488881) is 3-[4-[1-[[2-(3,4-dichloro-N-methylanilino)acetyl]-methylamino]-2-morpholin-4-ylethyl]phenyl]-N-methylbenzamide.
What is the SMILES notation for 3-[4-[1-[[2-(3,4-dichloro-N-methylanilino)acetyl]-methylamino]-2-morpholin-4-ylethyl]phenyl]-N-methylbenzamide?
The canonical SMILES for 3-[4-[1-[[2-(3,4-dichloro-N-methylanilino)acetyl]-methylamino]-2-morpholin-4-ylethyl]phenyl]-N-methylbenzamide is CNC(=O)c1cccc(-c2ccc(C(CN3CCOCC3)N(C)C(=O)CN(C)c3ccc(Cl)c(Cl)c3)cc2)c1.
What is the InChIKey of 3-[4-[1-[[2-(3,4-dichloro-N-methylanilino)acetyl]-methylamino]-2-morpholin-4-ylethyl]phenyl]-N-methylbenzamide?
The InChIKey is ONSZPUIIPWQZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34Cl2N4O3/c1-33-30(38)24-6-4-5-23(17-24)21-7-9-22(10-8-21)28(19-36-13-15-39-16-14-36)35(3)29(37)20-34(2)25-11-12-26(31)27(32)18-25/h4-12,17-18,28H,13-16,19-20H2,1-3H3,(H,33,38).
What are the key properties of 3-[4-[1-[[2-(3,4-dichloro-N-methylanilino)acetyl]-methylamino]-2-morpholin-4-ylethyl]phenyl]-N-methylbenzamide?
3-[4-[1-[[2-(3,4-dichloro-N-methylanilino)acetyl]-methylamino]-2-morpholin-4-ylethyl]phenyl]-N-methylbenzamide has a molecular weight of 569.53 g/mol, XLogP of 4.99, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-[[2-(3,4-dichloro-N-methylanilino)acetyl]-methylamino]-2-morpholin-4-ylethyl]phenyl]-N-methylbenzamide is sourced from PubChem (CID 57488881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).