N-[2-(2-chlorophenoxy)phenyl]-3-(3,4-dimethoxyphenyl)propanamide

C23H22ClNO4 — CID 24514263

IUPACN-[2-(2-chlorophenoxy)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccccc2Oc2ccccc2Cl)cc1OC
InChIInChI=1S/C23H22ClNO4/c1-27-21-13-11-16(15-22(21)28-2)12-14-23(26)25-18-8-4-6-10-20(18)29-19-9-5-3-7-17(19)24/h3-11,13,15H,12,14H2,1-2H3,(H,25,26)
InChIKeyODZKSNQECFZMFF-UHFFFAOYSA-N
MW411.89 g/mol
LogP5.72
Rot. Bonds8

About N-[2-(2-chlorophenoxy)phenyl]-3-(3,4-dimethoxyphenyl)propanamide

N-[2-(2-chlorophenoxy)phenyl]-3-(3,4-dimethoxyphenyl)propanamide (PubChem CID 24514263) has the molecular formula C23H22ClNO4 and a molecular weight of 411.89 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)phenyl]-3-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
PubChem CID24514263
Molecular FormulaC23H22ClNO4
Molecular Weight411.89 g/mol
Exact Mass411.12
IUPAC NameN-[2-(2-chlorophenoxy)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccccc2Oc2ccccc2Cl)cc1OC
InChIInChI=1S/C23H22ClNO4/c1-27-21-13-11-16(15-22(21)28-2)12-14-23(26)25-18-8-4-6-10-20(18)29-19-9-5-3-7-17(19)24/h3-11,13,15H,12,14H2,1-2H3,(H,25,26)
InChIKeyODZKSNQECFZMFF-UHFFFAOYSA-N
XLogP5.72
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.89
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-(2-hydroxyphenyl)propanamide
CID 12822107
3-(3,4-dimethoxyphenyl)-N-(2-propan-2-yloxyphenyl)propanamide
CID 38999781
3-(3-chloro-4-methylphenyl)-N-(2-methoxyphenyl)propanamide
CID 18124058
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 4799937
3-(3,4-dimethoxyphenyl)-N-(2-phenylphenyl)propanamide
CID 26727200
3-(3,4-dimethoxyphenyl)-N-(2-ethylsulfanylphenyl)propanamide
CID 92677216
3-(2-chlorophenyl)-N-(2-methoxyphenyl)propanamide
CID 17178984
N-[2-(difluoromethylsulfanyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 25499840
N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 8759873
3-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 2684730
N-(2-ethoxyphenyl)-3-(4-methoxy-3-methylphenyl)propanamide
CID 100573859
tert-butyl N-[3-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]anilino]-3-oxopropyl]carbamate
CID 108920282

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)phenyl]-3-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of N-[2-(2-chlorophenoxy)phenyl]-3-(3,4-dimethoxyphenyl)propanamide (CID 24514263) is N-[2-(2-chlorophenoxy)phenyl]-3-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for N-[2-(2-chlorophenoxy)phenyl]-3-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for N-[2-(2-chlorophenoxy)phenyl]-3-(3,4-dimethoxyphenyl)propanamide is COc1ccc(CCC(=O)Nc2ccccc2Oc2ccccc2Cl)cc1OC.
What is the InChIKey of N-[2-(2-chlorophenoxy)phenyl]-3-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is ODZKSNQECFZMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClNO4/c1-27-21-13-11-16(15-22(21)28-2)12-14-23(26)25-18-8-4-6-10-20(18)29-19-9-5-3-7-17(19)24/h3-11,13,15H,12,14H2,1-2H3,(H,25,26).
What are the key properties of N-[2-(2-chlorophenoxy)phenyl]-3-(3,4-dimethoxyphenyl)propanamide?
N-[2-(2-chlorophenoxy)phenyl]-3-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 411.89 g/mol, XLogP of 5.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)phenyl]-3-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 24514263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).