4-chloro-N-methyl-N-[4-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoylamino]phenyl]benzamide

C21H23ClN4O3 — CID 60577820

IUPAC4-chloro-N-methyl-N-[4-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoylamino]phenyl]benzamide
SMILESCN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)NCC(=O)N2CCCC2)cc1
InChIInChI=1S/C21H23ClN4O3/c1-25(20(28)15-4-6-16(22)7-5-15)18-10-8-17(9-11-18)24-21(29)23-14-19(27)26-12-2-3-13-26/h4-11H,2-3,12-14H2,1H3,(H2,23,24,29)
InChIKeyCUPDGPMQHHXEKH-UHFFFAOYSA-N
MW414.89 g/mol
LogP3.36
Rot. Bonds5

About 4-chloro-N-methyl-N-[4-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoylamino]phenyl]benzamide

4-chloro-N-methyl-N-[4-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoylamino]phenyl]benzamide (PubChem CID 60577820) has the molecular formula C21H23ClN4O3 and a molecular weight of 414.89 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-[4-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoylamino]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-methyl-N-[4-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoylamino]phenyl]benzamide
PubChem CID60577820
Molecular FormulaC21H23ClN4O3
Molecular Weight414.89 g/mol
Exact Mass414.15
IUPAC Name4-chloro-N-methyl-N-[4-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoylamino]phenyl]benzamide
SMILESCN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)NCC(=O)N2CCCC2)cc1
InChIInChI=1S/C21H23ClN4O3/c1-25(20(28)15-4-6-16(22)7-5-15)18-10-8-17(9-11-18)24-21(29)23-14-19(27)26-12-2-3-13-26/h4-11H,2-3,12-14H2,1H3,(H2,23,24,29)
InChIKeyCUPDGPMQHHXEKH-UHFFFAOYSA-N
XLogP3.36
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylcarbamoylamino)phenyl]-N-methylbenzamide
CID 60577748
4-chloro-N-[4-(3-hydroxypropylcarbamoylamino)phenyl]-N-methylbenzamide
CID 60577488
4-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54838444
4-chloro-N-[4-(cyclohexylcarbamoylamino)phenyl]-N-methylbenzamide
CID 60572957
1-[4-(4-methylpiperidine-1-carbonyl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 60545834
1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenylurea
CID 24583495
2-[[4-[acetyl(methyl)amino]phenyl]carbamoylamino]-N-(4-chlorophenyl)acetamide
CID 86862600
2-[(4-chlorophenyl)carbamoylamino]-N-[4-(dimethylamino)phenyl]acetamide
CID 110407251
1-(4-chlorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea
CID 110371137
4-chloro-N-[4-[(4-hydroxycyclohexyl)carbamoylamino]phenyl]-N-methylbenzamide
CID 60573055
N-(4-chlorophenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942039
4-chloro-N-methyl-N-[4-(prop-2-enoylamino)phenyl]benzamide
CID 166410939

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-[4-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoylamino]phenyl]benzamide?
The IUPAC name of 4-chloro-N-methyl-N-[4-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoylamino]phenyl]benzamide (CID 60577820) is 4-chloro-N-methyl-N-[4-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoylamino]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-methyl-N-[4-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoylamino]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-methyl-N-[4-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoylamino]phenyl]benzamide is CN(C(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)NCC(=O)N2CCCC2)cc1.
What is the InChIKey of 4-chloro-N-methyl-N-[4-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoylamino]phenyl]benzamide?
The InChIKey is CUPDGPMQHHXEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O3/c1-25(20(28)15-4-6-16(22)7-5-15)18-10-8-17(9-11-18)24-21(29)23-14-19(27)26-12-2-3-13-26/h4-11H,2-3,12-14H2,1H3,(H2,23,24,29).
What are the key properties of 4-chloro-N-methyl-N-[4-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoylamino]phenyl]benzamide?
4-chloro-N-methyl-N-[4-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoylamino]phenyl]benzamide has a molecular weight of 414.89 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-[4-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoylamino]phenyl]benzamide is sourced from PubChem (CID 60577820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).