4-chloro-N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide

C21H22ClN3O3 — CID 4169930

IUPAC4-chloro-N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
SMILESCc1ccc(NC(=O)CNC(=O)CN(C(=O)c2ccc(Cl)cc2)C2CC2)cc1
InChIInChI=1S/C21H22ClN3O3/c1-14-2-8-17(9-3-14)24-19(26)12-23-20(27)13-25(18-10-11-18)21(28)15-4-6-16(22)7-5-15/h2-9,18H,10-13H2,1H3,(H,23,27)(H,24,26)
InChIKeyDZOVKTXYCYGDLO-UHFFFAOYSA-N
MW399.88 g/mol
LogP3.01
Rot. Bonds7

About 4-chloro-N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide

4-chloro-N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide (PubChem CID 4169930) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.88 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
PubChem CID4169930
Molecular FormulaC21H22ClN3O3
Molecular Weight399.88 g/mol
Exact Mass399.13
IUPAC Name4-chloro-N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
SMILESCc1ccc(NC(=O)CNC(=O)CN(C(=O)c2ccc(Cl)cc2)C2CC2)cc1
InChIInChI=1S/C21H22ClN3O3/c1-14-2-8-17(9-3-14)24-19(26)12-23-20(27)13-25(18-10-11-18)21(28)15-4-6-16(22)7-5-15/h2-9,18H,10-13H2,1H3,(H,23,27)(H,24,26)
InChIKeyDZOVKTXYCYGDLO-UHFFFAOYSA-N
XLogP3.01
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-butoxy-N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 4601773
N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentanecarboxamide
CID 5059734
4-chloro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 2989490
2-[[2-[[2-(4-chlorophenoxy)acetyl]-cyclopropylamino]acetyl]amino]-N-(4-methoxyphenyl)acetamide
CID 42770718
N-[2-(4-chloroanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112997921
2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(4-methylphenyl)acetamide
CID 60514622
N-cyclopropyl-3,5,5-trimethyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide
CID 4615707
3,5-dichloro-N-cyclohexyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 4016801
2-[acetyl(cyclopentyl)amino]-N-(4-methylphenyl)acetamide
CID 113159299
4-chloro-N-cyclopropyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-3-nitrobenzamide
CID 4303769
2-chloro-N-cyclopropyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]propanamide
CID 5087238
N-cyclohexyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 4183323

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-chloro-N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide (CID 4169930) is 4-chloro-N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-chloro-N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-chloro-N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide is Cc1ccc(NC(=O)CNC(=O)CN(C(=O)c2ccc(Cl)cc2)C2CC2)cc1.
What is the InChIKey of 4-chloro-N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is DZOVKTXYCYGDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3/c1-14-2-8-17(9-3-14)24-19(26)12-23-20(27)13-25(18-10-11-18)21(28)15-4-6-16(22)7-5-15/h2-9,18H,10-13H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 4-chloro-N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide?
4-chloro-N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 399.88 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 4169930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).