N'-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]butanediamide

C18H19ClN2O3 — CID 3968274

IUPACN'-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]butanediamide
SMILESCOc1ccc(CNC(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O3/c1-24-16-8-2-13(3-9-16)12-20-17(22)10-11-18(23)21-15-6-4-14(19)5-7-15/h2-9H,10-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyZCYGMONAKZPGOK-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.38
Rot. Bonds7

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

N'-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]butanediamide (PubChem CID 3968274) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N'-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]butanediamide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]butanediamide
PubChem CID3968274
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN'-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]butanediamide
SMILESCOc1ccc(CNC(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O3/c1-24-16-8-2-13(3-9-16)12-20-17(22)10-11-18(23)21-15-6-4-14(19)5-7-15/h2-9H,10-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyZCYGMONAKZPGOK-UHFFFAOYSA-N
XLogP3.38
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]butanediamide?
The IUPAC name of N'-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]butanediamide (CID 3968274) is N'-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]butanediamide.
What is the SMILES notation for N'-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]butanediamide?
The canonical SMILES for N'-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]butanediamide is COc1ccc(CNC(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N'-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]butanediamide?
The InChIKey is ZCYGMONAKZPGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-24-16-8-2-13(3-9-16)12-20-17(22)10-11-18(23)21-15-6-4-14(19)5-7-15/h2-9H,10-12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]butanediamide?
N'-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]butanediamide has a molecular weight of 346.81 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]butanediamide is sourced from PubChem (CID 3968274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).