N-[(3-chlorophenyl)methyl]-3,4,5-trimethoxybenzamide

C17H18ClNO4 — CID 2681202

IUPACN-[(3-chlorophenyl)methyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCc2cccc(Cl)c2)cc(OC)c1OC
InChIInChI=1S/C17H18ClNO4/c1-21-14-8-12(9-15(22-2)16(14)23-3)17(20)19-10-11-5-4-6-13(18)7-11/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyFIOUIQUHJVUDCQ-UHFFFAOYSA-N
MW335.79 g/mol
LogP3.30
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-3,4,5-trimethoxybenzamide

N-[(3-chlorophenyl)methyl]-3,4,5-trimethoxybenzamide (PubChem CID 2681202) has the molecular formula C17H18ClNO4 and a molecular weight of 335.79 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3,4,5-trimethoxybenzamide
PubChem CID2681202
Molecular FormulaC17H18ClNO4
Molecular Weight335.79 g/mol
Exact Mass335.09
IUPAC NameN-[(3-chlorophenyl)methyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCc2cccc(Cl)c2)cc(OC)c1OC
InChIInChI=1S/C17H18ClNO4/c1-21-14-8-12(9-15(22-2)16(14)23-3)17(20)19-10-11-5-4-6-13(18)7-11/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyFIOUIQUHJVUDCQ-UHFFFAOYSA-N
XLogP3.30
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorophenyl)methyl]-3-ethoxy-4-methoxybenzamide
CID 51158727
1-N,3-N-bis[(3-chlorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide
CID 71608078
3,5-dichloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 17485942
4-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzamide
CID 47449773
N-[(3-chlorophenyl)methyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 2171958
N-[(3-chlorophenyl)methyl]-2-(2,6-dimethoxyphenoxy)acetamide
CID 51142104
N-[(3-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 710725
N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)benzamide
CID 51176578
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 8019120
2-(2-bromo-4,5-dimethoxyphenyl)-N-[(3-chlorophenyl)methyl]acetamide
CID 9209889
N-benzyl-3-bromo-4,5-dimethoxybenzamide
CID 1008056
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3,4,5-trimethoxybenzamide (CID 2681202) is N-[(3-chlorophenyl)methyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NCc2cccc(Cl)c2)cc(OC)c1OC.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3,4,5-trimethoxybenzamide?
The InChIKey is FIOUIQUHJVUDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4/c1-21-14-8-12(9-15(22-2)16(14)23-3)17(20)19-10-11-5-4-6-13(18)7-11/h4-9H,10H2,1-3H3,(H,19,20).
What are the key properties of N-[(3-chlorophenyl)methyl]-3,4,5-trimethoxybenzamide?
N-[(3-chlorophenyl)methyl]-3,4,5-trimethoxybenzamide has a molecular weight of 335.79 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 2681202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).