2,4-dichloro-N-[4-chloro-2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide

C20H20Cl3N3O3 — CID 991469

IUPAC2,4-dichloro-N-[4-chloro-2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)NCCN1CCOCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H20Cl3N3O3/c21-13-2-4-18(25-20(28)15-3-1-14(22)12-17(15)23)16(11-13)19(27)24-5-6-26-7-9-29-10-8-26/h1-4,11-12H,5-10H2,(H,24,27)(H,25,28)
InChIKeyUHGPSXSHLBRLKA-UHFFFAOYSA-N
MW456.76 g/mol
LogP3.96
Rot. Bonds6

About 2,4-dichloro-N-[4-chloro-2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide

2,4-dichloro-N-[4-chloro-2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide (PubChem CID 991469) has the molecular formula C20H20Cl3N3O3 and a molecular weight of 456.76 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-chloro-2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-chloro-2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
PubChem CID991469
Molecular FormulaC20H20Cl3N3O3
Molecular Weight456.76 g/mol
Exact Mass455.06
IUPAC Name2,4-dichloro-N-[4-chloro-2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)NCCN1CCOCC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H20Cl3N3O3/c21-13-2-4-18(25-20(28)15-3-1-14(22)12-17(15)23)16(11-13)19(27)24-5-6-26-7-9-29-10-8-26/h1-4,11-12H,5-10H2,(H,24,27)(H,25,28)
InChIKeyUHGPSXSHLBRLKA-UHFFFAOYSA-N
XLogP3.96
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.76
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 799090
2,4-dichloro-N-[2-fluoro-4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]benzamide
CID 18893217
4-fluoro-2-[(2-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 118913406
2-amino-4-chloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 43168459
6-chloro-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide
CID 113206353
N-(2,4-dichlorophenyl)-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109154085
5-(2,4-dichloroanilino)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 109277582
2-methyl-N-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
CID 27241616
2,4-dichloro-N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]benzamide
CID 42697337
3-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 669179
N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2-morpholin-4-ylethyl)oxamide
CID 108984345
2,4-dichloro-N-[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl]benzamide
CID 108754497

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-chloro-2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[4-chloro-2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide (CID 991469) is 2,4-dichloro-N-[4-chloro-2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[4-chloro-2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[4-chloro-2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide is O=C(Nc1ccc(Cl)cc1C(=O)NCCN1CCOCC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[4-chloro-2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide?
The InChIKey is UHGPSXSHLBRLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl3N3O3/c21-13-2-4-18(25-20(28)15-3-1-14(22)12-17(15)23)16(11-13)19(27)24-5-6-26-7-9-29-10-8-26/h1-4,11-12H,5-10H2,(H,24,27)(H,25,28).
What are the key properties of 2,4-dichloro-N-[4-chloro-2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide?
2,4-dichloro-N-[4-chloro-2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide has a molecular weight of 456.76 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[4-chloro-2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 991469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).