4-[[2-[[2-(2,5-dichloroanilino)-2-oxoethyl]-propylamino]acetyl]amino]benzamide

C20H22Cl2N4O3 — CID 2541352

IUPAC4-[[2-[[2-(2,5-dichloroanilino)-2-oxoethyl]-propylamino]acetyl]amino]benzamide
SMILESCCCN(CC(=O)Nc1ccc(C(N)=O)cc1)CC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C20H22Cl2N4O3/c1-2-9-26(12-19(28)25-17-10-14(21)5-8-16(17)22)11-18(27)24-15-6-3-13(4-7-15)20(23)29/h3-8,10H,2,9,11-12H2,1H3,(H2,23,29)(H,24,27)(H,25,28)
InChIKeyWWZYHKRLDAKGLK-UHFFFAOYSA-N
MW437.33 g/mol
LogP3.38
Rot. Bonds9

About 4-[[2-[[2-(2,5-dichloroanilino)-2-oxoethyl]-propylamino]acetyl]amino]benzamide

4-[[2-[[2-(2,5-dichloroanilino)-2-oxoethyl]-propylamino]acetyl]amino]benzamide (PubChem CID 2541352) has the molecular formula C20H22Cl2N4O3 and a molecular weight of 437.33 g/mol. Its IUPAC name is 4-[[2-[[2-(2,5-dichloroanilino)-2-oxoethyl]-propylamino]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[[2-(2,5-dichloroanilino)-2-oxoethyl]-propylamino]acetyl]amino]benzamide
PubChem CID2541352
Molecular FormulaC20H22Cl2N4O3
Molecular Weight437.33 g/mol
Exact Mass436.11
IUPAC Name4-[[2-[[2-(2,5-dichloroanilino)-2-oxoethyl]-propylamino]acetyl]amino]benzamide
SMILESCCCN(CC(=O)Nc1ccc(C(N)=O)cc1)CC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C20H22Cl2N4O3/c1-2-9-26(12-19(28)25-17-10-14(21)5-8-16(17)22)11-18(27)24-15-6-3-13(4-7-15)20(23)29/h3-8,10H,2,9,11-12H2,1H3,(H2,23,29)(H,24,27)(H,25,28)
InChIKeyWWZYHKRLDAKGLK-UHFFFAOYSA-N
XLogP3.38
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.33
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[2-[[2-(2,5-dichloroanilino)-2-oxoethyl]-propylamino]acetyl]amino]benzamide with MolForge

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Related Compounds

N-(2,5-dichlorophenyl)-3-(dipropylamino)propanamide
CID 52579958
2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(3,4-difluorophenyl)acetamide
CID 4968627
N-(2,5-dichlorophenyl)-3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanamide
CID 56792887
N-(4-chlorophenyl)-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 9038956
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-methyl-N-propylbenzamide
CID 7696648
2-[(2-chloroacetyl)-propylamino]-N-(2,5-dichlorophenyl)acetamide
CID 2452334
N-[3-(4-carbamoylanilino)-3-oxopropyl]-2,5-dichloro-N-ethylbenzamide
CID 31412018
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-3,4-dimethyl-N-propylbenzamide
CID 112789981
2-[[2-(3-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide
CID 27246695
3-chloro-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
CID 7930247
N-(2,5-dichlorophenyl)-2-[(3-methylpyrrolidin-3-yl)methyl-propylamino]acetamide
CID 120902455
N-(4-acetamidophenyl)-2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-ethylamino]acetamide
CID 8779826

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[[2-(2,5-dichloroanilino)-2-oxoethyl]-propylamino]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[[2-(2,5-dichloroanilino)-2-oxoethyl]-propylamino]acetyl]amino]benzamide (CID 2541352) is 4-[[2-[[2-(2,5-dichloroanilino)-2-oxoethyl]-propylamino]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[[2-(2,5-dichloroanilino)-2-oxoethyl]-propylamino]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[[2-(2,5-dichloroanilino)-2-oxoethyl]-propylamino]acetyl]amino]benzamide is CCCN(CC(=O)Nc1ccc(C(N)=O)cc1)CC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 4-[[2-[[2-(2,5-dichloroanilino)-2-oxoethyl]-propylamino]acetyl]amino]benzamide?
The InChIKey is WWZYHKRLDAKGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N4O3/c1-2-9-26(12-19(28)25-17-10-14(21)5-8-16(17)22)11-18(27)24-15-6-3-13(4-7-15)20(23)29/h3-8,10H,2,9,11-12H2,1H3,(H2,23,29)(H,24,27)(H,25,28).
What are the key properties of 4-[[2-[[2-(2,5-dichloroanilino)-2-oxoethyl]-propylamino]acetyl]amino]benzamide?
4-[[2-[[2-(2,5-dichloroanilino)-2-oxoethyl]-propylamino]acetyl]amino]benzamide has a molecular weight of 437.33 g/mol, XLogP of 3.38, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[[2-(2,5-dichloroanilino)-2-oxoethyl]-propylamino]acetyl]amino]benzamide is sourced from PubChem (CID 2541352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).