N'-benzyl-N-[(4-chlorophenyl)methyl]-N'-ethylpropanediamide

C19H21ClN2O2 — CID 108946690

IUPACN'-benzyl-N-[(4-chlorophenyl)methyl]-N'-ethylpropanediamide
SMILESCCN(Cc1ccccc1)C(=O)CC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c1-2-22(14-16-6-4-3-5-7-16)19(24)12-18(23)21-13-15-8-10-17(20)11-9-15/h3-11H,2,12-14H2,1H3,(H,21,23)
InChIKeyZHXOPHSXOWXHSW-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.39
Rot. Bonds7

About N'-benzyl-N-[(4-chlorophenyl)methyl]-N'-ethylpropanediamide

N'-benzyl-N-[(4-chlorophenyl)methyl]-N'-ethylpropanediamide (PubChem CID 108946690) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N'-benzyl-N-[(4-chlorophenyl)methyl]-N'-ethylpropanediamide.

Molecular Properties

Compound NameN'-benzyl-N-[(4-chlorophenyl)methyl]-N'-ethylpropanediamide
PubChem CID108946690
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN'-benzyl-N-[(4-chlorophenyl)methyl]-N'-ethylpropanediamide
SMILESCCN(Cc1ccccc1)C(=O)CC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c1-2-22(14-16-6-4-3-5-7-16)19(24)12-18(23)21-13-15-8-10-17(20)11-9-15/h3-11H,2,12-14H2,1H3,(H,21,23)
InChIKeyZHXOPHSXOWXHSW-UHFFFAOYSA-N
XLogP3.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.39
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-[(4-chlorophenyl)methyl]-N',N'-diethylpropanediamide
CID 108946721
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-phenylpropanamide
CID 2450018
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N-benzyl-3-[2-(4-chlorophenyl)ethylamino]-N-ethylpropanamide
CID 109022888
N',N'-diethyl-N-[(4-methylphenyl)methyl]propanediamide
CID 108945744
3-amino-N-[(4-chlorophenyl)methyl]-N-ethylpropanamide
CID 92931902
N'-benzyl-N'-ethyl-N-propan-2-ylpropanediamide
CID 108940808
N-benzyl-2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethylacetamide
CID 113151099
1-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]urea
CID 108899084
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-[2-(diethylamino)-2-oxoethyl]-methylazanium
CID 8692080
1-benzyl-3-[(3-chlorophenyl)methyl]-1-ethylurea
CID 110301185
N-benzyl-N-[4-[2-(benzylamino)-2-oxoethyl]phenyl]-4-chlorobenzamide
CID 46045826

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-[(4-chlorophenyl)methyl]-N'-ethylpropanediamide?
The IUPAC name of N'-benzyl-N-[(4-chlorophenyl)methyl]-N'-ethylpropanediamide (CID 108946690) is N'-benzyl-N-[(4-chlorophenyl)methyl]-N'-ethylpropanediamide.
What is the SMILES notation for N'-benzyl-N-[(4-chlorophenyl)methyl]-N'-ethylpropanediamide?
The canonical SMILES for N'-benzyl-N-[(4-chlorophenyl)methyl]-N'-ethylpropanediamide is CCN(Cc1ccccc1)C(=O)CC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N'-benzyl-N-[(4-chlorophenyl)methyl]-N'-ethylpropanediamide?
The InChIKey is ZHXOPHSXOWXHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-2-22(14-16-6-4-3-5-7-16)19(24)12-18(23)21-13-15-8-10-17(20)11-9-15/h3-11H,2,12-14H2,1H3,(H,21,23).
What are the key properties of N'-benzyl-N-[(4-chlorophenyl)methyl]-N'-ethylpropanediamide?
N'-benzyl-N-[(4-chlorophenyl)methyl]-N'-ethylpropanediamide has a molecular weight of 344.84 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-[(4-chlorophenyl)methyl]-N'-ethylpropanediamide is sourced from PubChem (CID 108946690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).