2-[[4-[(4-chlorobenzoyl)amino]benzoyl]amino]ethyl-diethylazanium

C20H25ClN3O2+ — CID 7981738

IUPAC2-[[4-[(4-chlorobenzoyl)amino]benzoyl]amino]ethyl-diethylazanium
SMILESCC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H24ClN3O2/c1-3-24(4-2)14-13-22-19(25)15-7-11-18(12-8-15)23-20(26)16-5-9-17(21)10-6-16/h5-12H,3-4,13-14H2,1-2H3,(H,22,25)(H,23,26)/p+1
InChIKeyKRSWRKPSEBPNKU-UHFFFAOYSA-O
MW374.89 g/mol
LogP2.25
Rot. Bonds8

About 2-[[4-[(4-chlorobenzoyl)amino]benzoyl]amino]ethyl-diethylazanium

2-[[4-[(4-chlorobenzoyl)amino]benzoyl]amino]ethyl-diethylazanium (PubChem CID 7981738) has the molecular formula C20H25ClN3O2+ and a molecular weight of 374.89 g/mol. Its IUPAC name is 2-[[4-[(4-chlorobenzoyl)amino]benzoyl]amino]ethyl-diethylazanium.

Molecular Properties

Compound Name2-[[4-[(4-chlorobenzoyl)amino]benzoyl]amino]ethyl-diethylazanium
PubChem CID7981738
Molecular FormulaC20H25ClN3O2+
Molecular Weight374.89 g/mol
Exact Mass374.16
IUPAC Name2-[[4-[(4-chlorobenzoyl)amino]benzoyl]amino]ethyl-diethylazanium
SMILESCC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H24ClN3O2/c1-3-24(4-2)14-13-22-19(25)15-7-11-18(12-8-15)23-20(26)16-5-9-17(21)10-6-16/h5-12H,3-4,13-14H2,1-2H3,(H,22,25)(H,23,26)/p+1
InChIKeyKRSWRKPSEBPNKU-UHFFFAOYSA-O
XLogP2.25
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

diethyl-[2-[[4-[[4-(trifluoromethyl)benzoyl]amino]benzoyl]amino]ethyl]azanium
CID 7972960
diethyl-[2-[[4-[(2-phenylacetyl)amino]benzoyl]amino]ethyl]azanium
CID 8010632
diethyl-[2-[[4-[(3-methylthiophene-2-carbonyl)amino]benzoyl]amino]ethyl]azanium
CID 2408819
4-N-(4-chlorophenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045341
1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 17219360
N-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide
CID 121063265
N-(4-chlorophenyl)-4-(methylamino)benzamide
CID 62166017
diethyl-[2-[[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]benzoyl]amino]ethyl]azanium
CID 2105849
2-[[4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]benzoyl]amino]ethyl-diethylazanium
CID 9463870
N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzamide
CID 92643113
4-N-(3,5-dichlorophenyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 109043049
3,5-dichloro-N-[4-(2-hydroxyethylcarbamoyl)phenyl]benzamide
CID 78862424

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-chlorobenzoyl)amino]benzoyl]amino]ethyl-diethylazanium?
The IUPAC name of 2-[[4-[(4-chlorobenzoyl)amino]benzoyl]amino]ethyl-diethylazanium (CID 7981738) is 2-[[4-[(4-chlorobenzoyl)amino]benzoyl]amino]ethyl-diethylazanium.
What is the SMILES notation for 2-[[4-[(4-chlorobenzoyl)amino]benzoyl]amino]ethyl-diethylazanium?
The canonical SMILES for 2-[[4-[(4-chlorobenzoyl)amino]benzoyl]amino]ethyl-diethylazanium is CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[[4-[(4-chlorobenzoyl)amino]benzoyl]amino]ethyl-diethylazanium?
The InChIKey is KRSWRKPSEBPNKU-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H24ClN3O2/c1-3-24(4-2)14-13-22-19(25)15-7-11-18(12-8-15)23-20(26)16-5-9-17(21)10-6-16/h5-12H,3-4,13-14H2,1-2H3,(H,22,25)(H,23,26)/p+1.
What are the key properties of 2-[[4-[(4-chlorobenzoyl)amino]benzoyl]amino]ethyl-diethylazanium?
2-[[4-[(4-chlorobenzoyl)amino]benzoyl]amino]ethyl-diethylazanium has a molecular weight of 374.89 g/mol, XLogP of 2.25, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-chlorobenzoyl)amino]benzoyl]amino]ethyl-diethylazanium is sourced from PubChem (CID 7981738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).