N-(2,5-dichlorophenyl)-3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanamide

C15H21Cl2N3O2 — CID 56792887

IUPACN-(2,5-dichlorophenyl)-3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanamide
SMILESCCCN(CCC(=O)Nc1cc(Cl)ccc1Cl)CC(=O)NC
InChIInChI=1S/C15H21Cl2N3O2/c1-3-7-20(10-15(22)18-2)8-6-14(21)19-13-9-11(16)4-5-12(13)17/h4-5,9H,3,6-8,10H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyUZCLFUBGHFQTNI-UHFFFAOYSA-N
MW346.26 g/mol
LogP2.78
Rot. Bonds8

About N-(2,5-dichlorophenyl)-3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanamide

N-(2,5-dichlorophenyl)-3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanamide (PubChem CID 56792887) has the molecular formula C15H21Cl2N3O2 and a molecular weight of 346.26 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanamide
PubChem CID56792887
Molecular FormulaC15H21Cl2N3O2
Molecular Weight346.26 g/mol
Exact Mass345.10
IUPAC NameN-(2,5-dichlorophenyl)-3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanamide
SMILESCCCN(CCC(=O)Nc1cc(Cl)ccc1Cl)CC(=O)NC
InChIInChI=1S/C15H21Cl2N3O2/c1-3-7-20(10-15(22)18-2)8-6-14(21)19-13-9-11(16)4-5-12(13)17/h4-5,9H,3,6-8,10H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyUZCLFUBGHFQTNI-UHFFFAOYSA-N
XLogP2.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dichlorophenyl)-3-(dipropylamino)propanamide
CID 52579958
2-[[3-(2,5-dichloroanilino)-3-oxopropyl]-ethylamino]acetic acid
CID 61012162
N-(2,5-dichlorophenyl)hexanamide
CID 5055577
4-[[2-[[2-(2,5-dichloroanilino)-2-oxoethyl]-propylamino]acetyl]amino]benzamide
CID 2541352
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(dipropylamino)propanamide
CID 109033185
3-[2-aminoethyl(methyl)amino]-N-(2,5-dichlorophenyl)propanamide
CID 55103947
N-(2,5-dichlorophenyl)-3-[2-hydroxyethyl(3-hydroxypropyl)amino]propanamide
CID 111112511
N-(2,5-dichlorophenyl)heptanamide
CID 3294645
2-[(2-chloroacetyl)-propylamino]-N-(2,5-dichlorophenyl)acetamide
CID 2452334
4-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]butanoic acid
CID 119134576
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylhexanamide
CID 55328661
N-(2,5-dichlorophenyl)-2-[(3-methylpyrrolidin-3-yl)methyl-propylamino]acetamide
CID 120902455

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanamide?
The IUPAC name of N-(2,5-dichlorophenyl)-3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanamide (CID 56792887) is N-(2,5-dichlorophenyl)-3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanamide is CCCN(CCC(=O)Nc1cc(Cl)ccc1Cl)CC(=O)NC.
What is the InChIKey of N-(2,5-dichlorophenyl)-3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanamide?
The InChIKey is UZCLFUBGHFQTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3O2/c1-3-7-20(10-15(22)18-2)8-6-14(21)19-13-9-11(16)4-5-12(13)17/h4-5,9H,3,6-8,10H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of N-(2,5-dichlorophenyl)-3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanamide?
N-(2,5-dichlorophenyl)-3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanamide has a molecular weight of 346.26 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanamide is sourced from PubChem (CID 56792887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).