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

C17H17Cl2NO2 — CID 2641033

IUPACN-[(2,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H17Cl2NO2/c1-22-16-5-3-2-4-12(16)7-9-17(21)20-11-13-6-8-14(18)10-15(13)19/h2-6,8,10H,7,9,11H2,1H3,(H,20,21)
InChIKeyMRZMCFMRWHBTHC-UHFFFAOYSA-N
MW338.23 g/mol
LogP4.25
Rot. Bonds6

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

N-[(2,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)propanamide (PubChem CID 2641033) has the molecular formula C17H17Cl2NO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
PubChem CID2641033
Molecular FormulaC17H17Cl2NO2
Molecular Weight338.23 g/mol
Exact Mass337.06
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H17Cl2NO2/c1-22-16-5-3-2-4-12(16)7-9-17(21)20-11-13-6-8-14(18)10-15(13)19/h2-6,8,10H,7,9,11H2,1H3,(H,20,21)
InChIKeyMRZMCFMRWHBTHC-UHFFFAOYSA-N
XLogP4.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 40600143
N-[(2,4-dichlorophenyl)methyl]-2-(2-methoxyanilino)acetamide
CID 9345203
N-[(2,4-dichlorophenyl)methyl]-3-(3,5-dimethoxyphenyl)propanamide
CID 9082319
4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]butanamide
CID 110297627
3-(2,4-dichlorophenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide
CID 46578246
1-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208022
(2R)-N-[(2,4-dichlorophenyl)methyl]-2-(2-methoxyphenoxy)propanamide
CID 9172784
N-[(2-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2679607
3-(2,4-dichlorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
CID 100609739
3-(2,4-dichlorophenyl)-N-[3-(2-ethoxyphenyl)propyl]propanamide
CID 100606977
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(2-methoxyphenyl)propanamide
CID 18284866
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-3-(2-methoxyphenyl)propanamide
CID 110416240

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)propanamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)propanamide (CID 2641033) is N-[(2,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)propanamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)propanamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)propanamide is COc1ccccc1CCC(=O)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)propanamide?
The InChIKey is MRZMCFMRWHBTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO2/c1-22-16-5-3-2-4-12(16)7-9-17(21)20-11-13-6-8-14(18)10-15(13)19/h2-6,8,10H,7,9,11H2,1H3,(H,20,21).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)propanamide?
N-[(2,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)propanamide has a molecular weight of 338.23 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 2641033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).