N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)propanamide

C17H18ClNO2 — CID 2397896

IUPACN-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C17H18ClNO2/c1-21-15-9-6-13(7-10-15)8-11-17(20)19-12-14-4-2-3-5-16(14)18/h2-7,9-10H,8,11-12H2,1H3,(H,19,20)
InChIKeyWGPNEZWCUKOYMS-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.60
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)propanamide

N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 2397896) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)propanamide
PubChem CID2397896
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC NameN-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C17H18ClNO2/c1-21-15-9-6-13(7-10-15)8-11-17(20)19-12-14-4-2-3-5-16(14)18/h2-7,9-10H,8,11-12H2,1H3,(H,19,20)
InChIKeyWGPNEZWCUKOYMS-UHFFFAOYSA-N
XLogP3.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(hydroxymethyl)phenyl]methyl]-3-(4-methoxyphenyl)propanamide
CID 110902384
N-[(2-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2679607
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[(2-chlorophenyl)methyl]propanamide
CID 113119893
2-(2-chlorophenyl)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 100632856
N-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethylamino]propanamide
CID 109021354
5-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]pentanamide
CID 110297825
1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)urea
CID 6469547
N-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)ethanamine;hydrobromide
CID 75531511
N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 115577590
N-[(2-chlorophenyl)methyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 26244985
N-[(2-chlorophenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 113155200

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)propanamide (CID 2397896) is N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NCc2ccccc2Cl)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is WGPNEZWCUKOYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-21-15-9-6-13(7-10-15)8-11-17(20)19-12-14-4-2-3-5-16(14)18/h2-7,9-10H,8,11-12H2,1H3,(H,19,20).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)propanamide?
N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 303.79 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 2397896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).