N-[(4-chlorophenyl)methyl]-N',N'-diethylpropanediamide

C14H19ClN2O2 — CID 108946721

IUPACN-[(4-chlorophenyl)methyl]-N',N'-diethylpropanediamide
SMILESCCN(CC)C(=O)CC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O2/c1-3-17(4-2)14(19)9-13(18)16-10-11-5-7-12(15)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,16,18)
InChIKeyXIRQOJLWVWDDPP-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.21
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-N',N'-diethylpropanediamide

N-[(4-chlorophenyl)methyl]-N',N'-diethylpropanediamide (PubChem CID 108946721) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N',N'-diethylpropanediamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N',N'-diethylpropanediamide
PubChem CID108946721
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN-[(4-chlorophenyl)methyl]-N',N'-diethylpropanediamide
SMILESCCN(CC)C(=O)CC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O2/c1-3-17(4-2)14(19)9-13(18)16-10-11-5-7-12(15)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,16,18)
InChIKeyXIRQOJLWVWDDPP-UHFFFAOYSA-N
XLogP2.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.21
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'-benzyl-N-[(4-chlorophenyl)methyl]-N'-ethylpropanediamide
CID 108946690
N',N'-diethyl-N-[(4-methylphenyl)methyl]propanediamide
CID 108945744
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]-methylazanium
CID 8692080
N-[(4-chlorophenyl)methyl]-3-(diethylamino)propanamide
CID 109021668
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-phenylpropanamide
CID 2450018
2-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]acetamide
CID 100610001
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(3,4-dimethylphenyl)-N-ethylacetamide
CID 18079819
2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide
CID 8796001
N-[(4-chlorophenyl)methyl]-2-[ethyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide
CID 16552641
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide
CID 8779934
3-(4-chlorophenyl)sulfanyl-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide
CID 26266197
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethylquinoxaline-6-carboxamide
CID 17410522

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N',N'-diethylpropanediamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N',N'-diethylpropanediamide (CID 108946721) is N-[(4-chlorophenyl)methyl]-N',N'-diethylpropanediamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N',N'-diethylpropanediamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N',N'-diethylpropanediamide is CCN(CC)C(=O)CC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N',N'-diethylpropanediamide?
The InChIKey is XIRQOJLWVWDDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-3-17(4-2)14(19)9-13(18)16-10-11-5-7-12(15)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,16,18).
What are the key properties of N-[(4-chlorophenyl)methyl]-N',N'-diethylpropanediamide?
N-[(4-chlorophenyl)methyl]-N',N'-diethylpropanediamide has a molecular weight of 282.77 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N',N'-diethylpropanediamide is sourced from PubChem (CID 108946721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).