3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide

C19H22ClNO5 — CID 18111968

IUPAC3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)Cc2cccc(OC)c2OC)cc(Cl)c1OC
InChIInChI=1S/C19H22ClNO5/c1-21(11-12-7-6-8-15(23-2)17(12)25-4)19(22)13-9-14(20)18(26-5)16(10-13)24-3/h6-10H,11H2,1-5H3
InChIKeyUKZLCWKANFAUON-UHFFFAOYSA-N
MW379.84 g/mol
LogP3.65
Rot. Bonds7

About 3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide

3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide (PubChem CID 18111968) has the molecular formula C19H22ClNO5 and a molecular weight of 379.84 g/mol. Its IUPAC name is 3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide
PubChem CID18111968
Molecular FormulaC19H22ClNO5
Molecular Weight379.84 g/mol
Exact Mass379.12
IUPAC Name3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)Cc2cccc(OC)c2OC)cc(Cl)c1OC
InChIInChI=1S/C19H22ClNO5/c1-21(11-12-7-6-8-15(23-2)17(12)25-4)19(22)13-9-14(20)18(26-5)16(10-13)24-3/h6-10H,11H2,1-5H3
InChIKeyUKZLCWKANFAUON-UHFFFAOYSA-N
XLogP3.65
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-N,3,5-trimethylbenzamide
CID 7936275
3-chloro-4,5-dimethoxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 55549890
3-chloro-N-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methylbenzamide
CID 112790252
2,5-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 18112013
3-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide
CID 34889742
3-bromo-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 7718898
3-chloro-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide
CID 60526368
3-chloro-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide
CID 27719528
3-chloro-4,5-dimethoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 18110375
N-[(2-fluorophenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 4780408
N-[(2,3-dimethoxyphenyl)methyl]-3-methoxy-N-methylpyridine-2-carboxamide
CID 171676146
2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylfuran-3-carboxamide
CID 106685743

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide?
The IUPAC name of 3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide (CID 18111968) is 3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide.
What is the SMILES notation for 3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide?
The canonical SMILES for 3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide is COc1cc(C(=O)N(C)Cc2cccc(OC)c2OC)cc(Cl)c1OC.
What is the InChIKey of 3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide?
The InChIKey is UKZLCWKANFAUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO5/c1-21(11-12-7-6-8-15(23-2)17(12)25-4)19(22)13-9-14(20)18(26-5)16(10-13)24-3/h6-10H,11H2,1-5H3.
What are the key properties of 3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide?
3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide has a molecular weight of 379.84 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide is sourced from PubChem (CID 18111968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).