1-(3,4-dichlorophenyl)-3-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]urea

C20H19Cl2N3O3 — CID 4049256

IUPAC1-(3,4-dichlorophenyl)-3-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]urea
SMILESCCC1(c2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)CCC(=O)NC1=O
InChIInChI=1S/C20H19Cl2N3O3/c1-2-20(10-9-17(26)25-18(20)27)12-3-5-13(6-4-12)23-19(28)24-14-7-8-15(21)16(22)11-14/h3-8,11H,2,9-10H2,1H3,(H2,23,24,28)(H,25,26,27)
InChIKeyMQPALEZAIOPFTL-UHFFFAOYSA-N
MW420.30 g/mol
LogP4.72
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-3-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]urea

1-(3,4-dichlorophenyl)-3-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]urea (PubChem CID 4049256) has the molecular formula C20H19Cl2N3O3 and a molecular weight of 420.30 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]urea
PubChem CID4049256
Molecular FormulaC20H19Cl2N3O3
Molecular Weight420.30 g/mol
Exact Mass419.08
IUPAC Name1-(3,4-dichlorophenyl)-3-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]urea
SMILESCCC1(c2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)CCC(=O)NC1=O
InChIInChI=1S/C20H19Cl2N3O3/c1-2-20(10-9-17(26)25-18(20)27)12-3-5-13(6-4-12)23-19(28)24-14-7-8-15(21)16(22)11-14/h3-8,11H,2,9-10H2,1H3,(H2,23,24,28)(H,25,26,27)
InChIKeyMQPALEZAIOPFTL-UHFFFAOYSA-N
XLogP4.72
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.30
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dichlorophenyl)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]prop-2-enamide
CID 76869654
4-chloro-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]benzamide
CID 41025293
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]bicyclo[1.1.0]butane-1-carboxamide
CID 167747058
iodomethyl N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]carbamate
CID 146489185
N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-3,4-dimethylbenzamide
CID 94533339
5-chloro-N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-1-benzofuran-2-carboxamide
CID 41062159
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 60570520
5-bromo-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-1,3-thiazole-2-carboxamide
CID 86807048
cis-(1R,2S)-2-(2-chloro-6-fluorophenyl)-N-[4-[(3R)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]cyclopropane-1-carboxamide
CID 99810327
dimethyl (E)-2-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)anilino]but-2-enedioate
CID 168566996
2-(diethylamino)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-phenylacetamide
CID 56580389
3-(2,4-dimethylphenyl)-N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]propanamide
CID 60570734

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]urea (CID 4049256) is 1-(3,4-dichlorophenyl)-3-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]urea is CCC1(c2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)CCC(=O)NC1=O.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]urea?
The InChIKey is MQPALEZAIOPFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O3/c1-2-20(10-9-17(26)25-18(20)27)12-3-5-13(6-4-12)23-19(28)24-14-7-8-15(21)16(22)11-14/h3-8,11H,2,9-10H2,1H3,(H2,23,24,28)(H,25,26,27).
What are the key properties of 1-(3,4-dichlorophenyl)-3-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]urea?
1-(3,4-dichlorophenyl)-3-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]urea has a molecular weight of 420.30 g/mol, XLogP of 4.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]urea is sourced from PubChem (CID 4049256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).