methyl 2-chloro-5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoate

C18H18ClNO5 — CID 38236695

IUPACmethyl 2-chloro-5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)Cc2ccc(OC)c(OC)c2)ccc1Cl
InChIInChI=1S/C18H18ClNO5/c1-23-15-7-4-11(8-16(15)24-2)9-17(21)20-12-5-6-14(19)13(10-12)18(22)25-3/h4-8,10H,9H2,1-3H3,(H,20,21)
InChIKeyVOLWBXYQFKDYSJ-UHFFFAOYSA-N
MW363.80 g/mol
LogP3.33
Rot. Bonds6

About methyl 2-chloro-5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoate

methyl 2-chloro-5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoate (PubChem CID 38236695) has the molecular formula C18H18ClNO5 and a molecular weight of 363.80 g/mol. Its IUPAC name is methyl 2-chloro-5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoate
PubChem CID38236695
Molecular FormulaC18H18ClNO5
Molecular Weight363.80 g/mol
Exact Mass363.09
IUPAC Namemethyl 2-chloro-5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)Cc2ccc(OC)c(OC)c2)ccc1Cl
InChIInChI=1S/C18H18ClNO5/c1-23-15-7-4-11(8-16(15)24-2)9-17(21)20-12-5-6-14(19)13(10-12)18(22)25-3/h4-8,10H,9H2,1-3H3,(H,20,21)
InChIKeyVOLWBXYQFKDYSJ-UHFFFAOYSA-N
XLogP3.33
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 2101244
N-(3,5-dichlorophenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 3482890
N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 8759873
N-[4-(2-chloroanilino)phenyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 112986934
N-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 7741769
4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid
CID 2738551
methyl 2-chloro-5-[[2-(2-methylphenyl)acetyl]amino]benzoate
CID 38239137
methyl 2-chloro-5-(3-chloropropanoylamino)benzoate
CID 43696506
methyl 5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzothiophene-2-carboxylate
CID 28558079
N-(5-amino-2-chlorophenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 28867944
2-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)acetamide
CID 2682877
2-(3-methoxy-4-methylphenyl)-N-(4-methoxy-3-methylphenyl)acetamide
CID 87032377

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoate?
The IUPAC name of methyl 2-chloro-5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoate (CID 38236695) is methyl 2-chloro-5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-chloro-5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoate?
The canonical SMILES for methyl 2-chloro-5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoate is COC(=O)c1cc(NC(=O)Cc2ccc(OC)c(OC)c2)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoate?
The InChIKey is VOLWBXYQFKDYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO5/c1-23-15-7-4-11(8-16(15)24-2)9-17(21)20-12-5-6-14(19)13(10-12)18(22)25-3/h4-8,10H,9H2,1-3H3,(H,20,21).
What are the key properties of methyl 2-chloro-5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoate?
methyl 2-chloro-5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoate has a molecular weight of 363.80 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoate is sourced from PubChem (CID 38236695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).