N'-butyl-N-(3,5-dichlorophenyl)-N'-methylpropanediamide

C14H18Cl2N2O2 — CID 108952098

IUPACN'-butyl-N-(3,5-dichlorophenyl)-N'-methylpropanediamide
SMILESCCCCN(C)C(=O)CC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H18Cl2N2O2/c1-3-4-5-18(2)14(20)9-13(19)17-12-7-10(15)6-11(16)8-12/h6-8H,3-5,9H2,1-2H3,(H,17,19)
InChIKeyWXPSCXHPGYQIQR-UHFFFAOYSA-N
MW317.22 g/mol
LogP3.58
Rot. Bonds6

About N'-butyl-N-(3,5-dichlorophenyl)-N'-methylpropanediamide

N'-butyl-N-(3,5-dichlorophenyl)-N'-methylpropanediamide (PubChem CID 108952098) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is N'-butyl-N-(3,5-dichlorophenyl)-N'-methylpropanediamide.

Molecular Properties

Compound NameN'-butyl-N-(3,5-dichlorophenyl)-N'-methylpropanediamide
PubChem CID108952098
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC NameN'-butyl-N-(3,5-dichlorophenyl)-N'-methylpropanediamide
SMILESCCCCN(C)C(=O)CC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H18Cl2N2O2/c1-3-4-5-18(2)14(20)9-13(19)17-12-7-10(15)6-11(16)8-12/h6-8H,3-5,9H2,1-2H3,(H,17,19)
InChIKeyWXPSCXHPGYQIQR-UHFFFAOYSA-N
XLogP3.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromo-4-methylphenyl)-N'-butyl-N'-methylpropanediamide
CID 108952043
N-(3,5-dichlorophenyl)nonanamide
CID 3459184
N'-butyl-N-(3-methoxyphenyl)-N'-methylpropanediamide
CID 108952045
1,1-dibutyl-3-(3,5-dichlorophenyl)thiourea
CID 17284778
N-(3,5-dichlorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141365
N-(3,5-dichlorophenyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464486
N-(2-bromophenyl)-N'-butyl-N'-methylpropanediamide
CID 108952078
N,N'-dibutyl-N'-methylpropanediamide
CID 108941430
N-butyl-6-(3,5-dichloroanilino)-N-methylpyridazine-3-carboxamide
CID 109125752
methyl 4-[(3,5-dichlorophenyl)carbamoyl-methylamino]butanoate
CID 103858616
N-butyl-N-methyl-3-oxobutanamide
CID 60934379
hexyl 4-(3,5-dichloroanilino)-2-methylidene-4-oxobutanoate
CID 13342232

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N-(3,5-dichlorophenyl)-N'-methylpropanediamide?
The IUPAC name of N'-butyl-N-(3,5-dichlorophenyl)-N'-methylpropanediamide (CID 108952098) is N'-butyl-N-(3,5-dichlorophenyl)-N'-methylpropanediamide.
What is the SMILES notation for N'-butyl-N-(3,5-dichlorophenyl)-N'-methylpropanediamide?
The canonical SMILES for N'-butyl-N-(3,5-dichlorophenyl)-N'-methylpropanediamide is CCCCN(C)C(=O)CC(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N'-butyl-N-(3,5-dichlorophenyl)-N'-methylpropanediamide?
The InChIKey is WXPSCXHPGYQIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c1-3-4-5-18(2)14(20)9-13(19)17-12-7-10(15)6-11(16)8-12/h6-8H,3-5,9H2,1-2H3,(H,17,19).
What are the key properties of N'-butyl-N-(3,5-dichlorophenyl)-N'-methylpropanediamide?
N'-butyl-N-(3,5-dichlorophenyl)-N'-methylpropanediamide has a molecular weight of 317.22 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N-(3,5-dichlorophenyl)-N'-methylpropanediamide is sourced from PubChem (CID 108952098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).