N-[(2-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide

C19H22ClNO4 — CID 2679607

IUPACN-[(2-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)NCc2ccccc2Cl)cc(OC)c1OC
InChIInChI=1S/C19H22ClNO4/c1-23-16-10-13(11-17(24-2)19(16)25-3)8-9-18(22)21-12-14-6-4-5-7-15(14)20/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,22)
InChIKeyUXJLGMCWSZKQCB-UHFFFAOYSA-N
MW363.84 g/mol
LogP3.61
Rot. Bonds8

About N-[(2-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide

N-[(2-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 2679607) has the molecular formula C19H22ClNO4 and a molecular weight of 363.84 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID2679607
Molecular FormulaC19H22ClNO4
Molecular Weight363.84 g/mol
Exact Mass363.12
IUPAC NameN-[(2-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)NCc2ccccc2Cl)cc(OC)c1OC
InChIInChI=1S/C19H22ClNO4/c1-23-16-10-13(11-17(24-2)19(16)25-3)8-9-18(22)21-12-14-6-4-5-7-15(14)20/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,22)
InChIKeyUXJLGMCWSZKQCB-UHFFFAOYSA-N
XLogP3.61
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.84
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 2397896
N-[[2-(trifluoromethyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 20968994
N-[(2-chlorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methylamino]propanamide
CID 109021346
N-[(2-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2713308
3-(2,3-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 9483500
N-[(2,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 2641033
N-[(2-chlorophenyl)methyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9079447
2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9242490
3-(3-bromophenyl)-N-[(2-chlorophenyl)methyl]propanamide
CID 43011216
N-[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
CID 9209715
3-(4-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 16574584
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2353384

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide (CID 2679607) is N-[(2-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(CCC(=O)NCc2ccccc2Cl)cc(OC)c1OC.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is UXJLGMCWSZKQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO4/c1-23-16-10-13(11-17(24-2)19(16)25-3)8-9-18(22)21-12-14-6-4-5-7-15(14)20/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
N-[(2-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 363.84 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 2679607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).