N-(4-chlorophenyl)-2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]benzamide

C21H23ClN4O3 — CID 24510669

IUPACN-(4-chlorophenyl)-2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]benzamide
SMILESCN(CC(=O)NC1CC1)C(=O)CNc1ccccc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H23ClN4O3/c1-26(13-19(27)24-15-10-11-15)20(28)12-23-18-5-3-2-4-17(18)21(29)25-16-8-6-14(22)7-9-16/h2-9,15,23H,10-13H2,1H3,(H,24,27)(H,25,29)
InChIKeyZNEJKUARHKEMTC-UHFFFAOYSA-N
MW414.89 g/mol
LogP2.74
Rot. Bonds8

About N-(4-chlorophenyl)-2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]benzamide

N-(4-chlorophenyl)-2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]benzamide (PubChem CID 24510669) has the molecular formula C21H23ClN4O3 and a molecular weight of 414.89 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]benzamide
PubChem CID24510669
Molecular FormulaC21H23ClN4O3
Molecular Weight414.89 g/mol
Exact Mass414.15
IUPAC NameN-(4-chlorophenyl)-2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]benzamide
SMILESCN(CC(=O)NC1CC1)C(=O)CNc1ccccc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H23ClN4O3/c1-26(13-19(27)24-15-10-11-15)20(28)12-23-18-5-3-2-4-17(18)21(29)25-16-8-6-14(22)7-9-16/h2-9,15,23H,10-13H2,1H3,(H,24,27)(H,25,29)
InChIKeyZNEJKUARHKEMTC-UHFFFAOYSA-N
XLogP2.74
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-iodoanilino)-N-methylacetamide
CID 24510602
N-(4-chlorophenyl)-2-[[2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoethyl]amino]benzamide
CID 46700598
N-(4-chlorophenyl)-2-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 18205586
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(3,4-dichloroanilino)-N-methylacetamide
CID 24510584
N-(4-chlorophenyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 9084498
2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 16555132
N-cyclopropyl-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]benzamide
CID 24614903
N-(4-chlorophenyl)-2-[[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 78825949
2-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-(4-chlorophenyl)benzamide
CID 18228642
N-cyclopropyl-2-[[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]amino]benzamide
CID 86911483
2-(2-chloroanilino)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 37471792
2-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 9105823

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]benzamide?
The IUPAC name of N-(4-chlorophenyl)-2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]benzamide (CID 24510669) is N-(4-chlorophenyl)-2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]benzamide is CN(CC(=O)NC1CC1)C(=O)CNc1ccccc1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]benzamide?
The InChIKey is ZNEJKUARHKEMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O3/c1-26(13-19(27)24-15-10-11-15)20(28)12-23-18-5-3-2-4-17(18)21(29)25-16-8-6-14(22)7-9-16/h2-9,15,23H,10-13H2,1H3,(H,24,27)(H,25,29).
What are the key properties of N-(4-chlorophenyl)-2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]benzamide?
N-(4-chlorophenyl)-2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]benzamide has a molecular weight of 414.89 g/mol, XLogP of 2.74, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 24510669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).