methyl 4-[[(2,3-dichlorobenzoyl)-methylamino]methyl]benzoate

C17H15Cl2NO3 — CID 37417321

IUPACmethyl 4-[[(2,3-dichlorobenzoyl)-methylamino]methyl]benzoate
SMILESCOC(=O)c1ccc(CN(C)C(=O)c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C17H15Cl2NO3/c1-20(16(21)13-4-3-5-14(18)15(13)19)10-11-6-8-12(9-7-11)17(22)23-2/h3-9H,10H2,1-2H3
InChIKeyWWNOPXQFAKJKMF-UHFFFAOYSA-N
MW352.22 g/mol
LogP4.05
Rot. Bonds4

About methyl 4-[[(2,3-dichlorobenzoyl)-methylamino]methyl]benzoate

methyl 4-[[(2,3-dichlorobenzoyl)-methylamino]methyl]benzoate (PubChem CID 37417321) has the molecular formula C17H15Cl2NO3 and a molecular weight of 352.22 g/mol. Its IUPAC name is methyl 4-[[(2,3-dichlorobenzoyl)-methylamino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(2,3-dichlorobenzoyl)-methylamino]methyl]benzoate
PubChem CID37417321
Molecular FormulaC17H15Cl2NO3
Molecular Weight352.22 g/mol
Exact Mass351.04
IUPAC Namemethyl 4-[[(2,3-dichlorobenzoyl)-methylamino]methyl]benzoate
SMILESCOC(=O)c1ccc(CN(C)C(=O)c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C17H15Cl2NO3/c1-20(16(21)13-4-3-5-14(18)15(13)19)10-11-6-8-12(9-7-11)17(22)23-2/h3-9H,10H2,1-2H3
InChIKeyWWNOPXQFAKJKMF-UHFFFAOYSA-N
XLogP4.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 112792625
methyl 4-[[(2,4-dichloro-5-fluorobenzoyl)-methylamino]methyl]benzoate
CID 37415657
methyl 4-[[[4-chloro-2-(hydroxyamino)benzoyl]-methylamino]methyl]benzoate
CID 138737504
methyl 4-[[(6-chloropyridine-3-carbonyl)-methylamino]methyl]benzoate
CID 37417334
3-amino-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 115930176
2,3-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 110484091
methyl 4-[[(5-bromo-2-fluorobenzoyl)-methylamino]methyl]benzoate
CID 37412583
2,3-dichloro-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylbenzamide
CID 18118556
N-[(4-bromophenyl)methyl]-2-chloro-3-fluoro-N-methylbenzamide
CID 79035791
methyl 3-[4-[[(2-formylbenzoyl)-methylamino]methyl]phenyl]benzoate
CID 142157717
4-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60937647
methyl 4-[methyl-[(2-methylphenyl)methyl]carbamoyl]benzoate
CID 9368938

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(2,3-dichlorobenzoyl)-methylamino]methyl]benzoate?
The IUPAC name of methyl 4-[[(2,3-dichlorobenzoyl)-methylamino]methyl]benzoate (CID 37417321) is methyl 4-[[(2,3-dichlorobenzoyl)-methylamino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[(2,3-dichlorobenzoyl)-methylamino]methyl]benzoate?
The canonical SMILES for methyl 4-[[(2,3-dichlorobenzoyl)-methylamino]methyl]benzoate is COC(=O)c1ccc(CN(C)C(=O)c2cccc(Cl)c2Cl)cc1.
What is the InChIKey of methyl 4-[[(2,3-dichlorobenzoyl)-methylamino]methyl]benzoate?
The InChIKey is WWNOPXQFAKJKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO3/c1-20(16(21)13-4-3-5-14(18)15(13)19)10-11-6-8-12(9-7-11)17(22)23-2/h3-9H,10H2,1-2H3.
What are the key properties of methyl 4-[[(2,3-dichlorobenzoyl)-methylamino]methyl]benzoate?
methyl 4-[[(2,3-dichlorobenzoyl)-methylamino]methyl]benzoate has a molecular weight of 352.22 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(2,3-dichlorobenzoyl)-methylamino]methyl]benzoate is sourced from PubChem (CID 37417321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).