2-[[3-(2,5-dichloroanilino)-3-oxopropyl]-propylamino]-N-phenylpropanamide

C21H25Cl2N3O2 — CID 56526533

IUPAC2-[[3-(2,5-dichloroanilino)-3-oxopropyl]-propylamino]-N-phenylpropanamide
SMILESCCCN(CCC(=O)Nc1cc(Cl)ccc1Cl)C(C)C(=O)Nc1ccccc1
InChIInChI=1S/C21H25Cl2N3O2/c1-3-12-26(15(2)21(28)24-17-7-5-4-6-8-17)13-11-20(27)25-19-14-16(22)9-10-18(19)23/h4-10,14-15H,3,11-13H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyNATHLMLEGLHHNW-UHFFFAOYSA-N
MW422.36 g/mol
LogP5.06
Rot. Bonds9

About 2-[[3-(2,5-dichloroanilino)-3-oxopropyl]-propylamino]-N-phenylpropanamide

2-[[3-(2,5-dichloroanilino)-3-oxopropyl]-propylamino]-N-phenylpropanamide (PubChem CID 56526533) has the molecular formula C21H25Cl2N3O2 and a molecular weight of 422.36 g/mol. Its IUPAC name is 2-[[3-(2,5-dichloroanilino)-3-oxopropyl]-propylamino]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[[3-(2,5-dichloroanilino)-3-oxopropyl]-propylamino]-N-phenylpropanamide
PubChem CID56526533
Molecular FormulaC21H25Cl2N3O2
Molecular Weight422.36 g/mol
Exact Mass421.13
IUPAC Name2-[[3-(2,5-dichloroanilino)-3-oxopropyl]-propylamino]-N-phenylpropanamide
SMILESCCCN(CCC(=O)Nc1cc(Cl)ccc1Cl)C(C)C(=O)Nc1ccccc1
InChIInChI=1S/C21H25Cl2N3O2/c1-3-12-26(15(2)21(28)24-17-7-5-4-6-8-17)13-11-20(27)25-19-14-16(22)9-10-18(19)23/h4-10,14-15H,3,11-13H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyNATHLMLEGLHHNW-UHFFFAOYSA-N
XLogP5.06
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.36
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dichlorophenyl)-3-(dipropylamino)propanamide
CID 52579958
N-(2,5-dichlorophenyl)-3-(N-methylanilino)propanamide
CID 51654070
2-(2,5-dichloroanilino)-N-phenylpropanamide
CID 43083844
3-[butan-2-yl(methylsulfonyl)amino]-N-(2,5-dichlorophenyl)propanamide
CID 113137172
N-(2,5-dichlorophenyl)-3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanamide
CID 56792887
3-[(1-anilino-1-oxopropan-2-yl)-propylamino]-2-methylpropanoic acid
CID 82326694
2-[[3-(2,5-dichloroanilino)-3-oxopropyl]-ethylamino]acetic acid
CID 61012162
N-(2,5-dichlorophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]propanamide
CID 112769409
N-[3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54830652
N-(2,5-dichlorophenyl)hexanamide
CID 5055577
3-[2-aminoethyl(methyl)amino]-N-(2,5-dichlorophenyl)propanamide
CID 55103947
N-(2,5-dichlorophenyl)heptanamide
CID 3294645

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2,5-dichloroanilino)-3-oxopropyl]-propylamino]-N-phenylpropanamide?
The IUPAC name of 2-[[3-(2,5-dichloroanilino)-3-oxopropyl]-propylamino]-N-phenylpropanamide (CID 56526533) is 2-[[3-(2,5-dichloroanilino)-3-oxopropyl]-propylamino]-N-phenylpropanamide.
What is the SMILES notation for 2-[[3-(2,5-dichloroanilino)-3-oxopropyl]-propylamino]-N-phenylpropanamide?
The canonical SMILES for 2-[[3-(2,5-dichloroanilino)-3-oxopropyl]-propylamino]-N-phenylpropanamide is CCCN(CCC(=O)Nc1cc(Cl)ccc1Cl)C(C)C(=O)Nc1ccccc1.
What is the InChIKey of 2-[[3-(2,5-dichloroanilino)-3-oxopropyl]-propylamino]-N-phenylpropanamide?
The InChIKey is NATHLMLEGLHHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N3O2/c1-3-12-26(15(2)21(28)24-17-7-5-4-6-8-17)13-11-20(27)25-19-14-16(22)9-10-18(19)23/h4-10,14-15H,3,11-13H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of 2-[[3-(2,5-dichloroanilino)-3-oxopropyl]-propylamino]-N-phenylpropanamide?
2-[[3-(2,5-dichloroanilino)-3-oxopropyl]-propylamino]-N-phenylpropanamide has a molecular weight of 422.36 g/mol, XLogP of 5.06, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2,5-dichloroanilino)-3-oxopropyl]-propylamino]-N-phenylpropanamide is sourced from PubChem (CID 56526533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).