N'-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]propanediamide

C17H17ClN2O3 — CID 108947071

IUPACN'-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]propanediamide
SMILESCOc1ccc(CNC(=O)CC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C17H17ClN2O3/c1-23-13-8-6-12(7-9-13)11-19-16(21)10-17(22)20-15-5-3-2-4-14(15)18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyMUXXEDMLZSBSMB-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.99
Rot. Bonds6

About N'-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]propanediamide

N'-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]propanediamide (PubChem CID 108947071) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is N'-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]propanediamide.

Molecular Properties

Compound NameN'-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]propanediamide
PubChem CID108947071
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC NameN'-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]propanediamide
SMILESCOc1ccc(CNC(=O)CC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C17H17ClN2O3/c1-23-13-8-6-12(7-9-13)11-19-16(21)10-17(22)20-15-5-3-2-4-14(15)18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyMUXXEDMLZSBSMB-UHFFFAOYSA-N
XLogP2.99
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorophenyl)-4-(4-methoxyphenyl)butanamide
CID 48980503
N-(2-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761356
N'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]propanediamide
CID 108947053
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
1-(2,6-dichlorophenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 3407219
N-[(4-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)propanediamide
CID 108947063
3-(2-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 2712554
N-(2-chlorophenyl)-N'-(3,4,5-trimethoxyphenyl)propanediamide
CID 108954919
N'-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]propanediamide
CID 108947082
(3E)-3-amino-N-(2-chlorophenyl)-3-[2-[(4-chlorophenyl)methylamino]-2-oxoethoxy]iminopropanamide
CID 78766801
1-(2-hydroxyphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 108868159
N'-[(Z)-[3-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide
CID 126279830

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]propanediamide?
The IUPAC name of N'-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]propanediamide (CID 108947071) is N'-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]propanediamide.
What is the SMILES notation for N'-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]propanediamide?
The canonical SMILES for N'-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]propanediamide is COc1ccc(CNC(=O)CC(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of N'-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]propanediamide?
The InChIKey is MUXXEDMLZSBSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-23-13-8-6-12(7-9-13)11-19-16(21)10-17(22)20-15-5-3-2-4-14(15)18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]propanediamide?
N'-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]propanediamide has a molecular weight of 332.79 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]propanediamide is sourced from PubChem (CID 108947071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).