methyl 3-[1-(2,4-dichlorophenyl)ethyl-methylcarbamoyl]benzoate

C18H17Cl2NO3 — CID 51117205

IUPACmethyl 3-[1-(2,4-dichlorophenyl)ethyl-methylcarbamoyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)N(C)C(C)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H17Cl2NO3/c1-11(15-8-7-14(19)10-16(15)20)21(2)17(22)12-5-4-6-13(9-12)18(23)24-3/h4-11H,1-3H3
InChIKeyRAVGQHSBORFPNP-UHFFFAOYSA-N
MW366.24 g/mol
LogP4.61
Rot. Bonds4

About methyl 3-[1-(2,4-dichlorophenyl)ethyl-methylcarbamoyl]benzoate

methyl 3-[1-(2,4-dichlorophenyl)ethyl-methylcarbamoyl]benzoate (PubChem CID 51117205) has the molecular formula C18H17Cl2NO3 and a molecular weight of 366.24 g/mol. Its IUPAC name is methyl 3-[1-(2,4-dichlorophenyl)ethyl-methylcarbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[1-(2,4-dichlorophenyl)ethyl-methylcarbamoyl]benzoate
PubChem CID51117205
Molecular FormulaC18H17Cl2NO3
Molecular Weight366.24 g/mol
Exact Mass365.06
IUPAC Namemethyl 3-[1-(2,4-dichlorophenyl)ethyl-methylcarbamoyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)N(C)C(C)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H17Cl2NO3/c1-11(15-8-7-14(19)10-16(15)20)21(2)17(22)12-5-4-6-13(9-12)18(23)24-3/h4-11H,1-3H3
InChIKeyRAVGQHSBORFPNP-UHFFFAOYSA-N
XLogP4.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-(2-methylpropanoylamino)benzamide
CID 55609242
methyl 3-[[(1R)-1-(2,4-dichlorophenyl)ethyl]sulfamoyl]benzoate
CID 31761098
5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylthiophene-3-carboxamide
CID 63526168
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N,6-dimethylpyridine-3-carboxamide
CID 38551924
N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-(propan-2-ylsulfamoyl)benzamide
CID 46580501
1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-3-(2-methylpropyl)urea
CID 51934926
N-[1-(2,4-dichlorophenyl)ethyl]-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide
CID 46588591
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 95045611
3-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide
CID 60939433
methyl 6-[[(1S)-1-(2,4-dichlorophenyl)ethyl]carbamoyl]pyridine-3-carboxylate
CID 32912046
methyl 3-(4-chlorobenzoyl)benzoate
CID 15984758
methyl 3-[(3-chlorobenzoyl)-methylamino]-2-methylpropanoate
CID 55008439

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-(2,4-dichlorophenyl)ethyl-methylcarbamoyl]benzoate?
The IUPAC name of methyl 3-[1-(2,4-dichlorophenyl)ethyl-methylcarbamoyl]benzoate (CID 51117205) is methyl 3-[1-(2,4-dichlorophenyl)ethyl-methylcarbamoyl]benzoate.
What is the SMILES notation for methyl 3-[1-(2,4-dichlorophenyl)ethyl-methylcarbamoyl]benzoate?
The canonical SMILES for methyl 3-[1-(2,4-dichlorophenyl)ethyl-methylcarbamoyl]benzoate is COC(=O)c1cccc(C(=O)N(C)C(C)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of methyl 3-[1-(2,4-dichlorophenyl)ethyl-methylcarbamoyl]benzoate?
The InChIKey is RAVGQHSBORFPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO3/c1-11(15-8-7-14(19)10-16(15)20)21(2)17(22)12-5-4-6-13(9-12)18(23)24-3/h4-11H,1-3H3.
What are the key properties of methyl 3-[1-(2,4-dichlorophenyl)ethyl-methylcarbamoyl]benzoate?
methyl 3-[1-(2,4-dichlorophenyl)ethyl-methylcarbamoyl]benzoate has a molecular weight of 366.24 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-(2,4-dichlorophenyl)ethyl-methylcarbamoyl]benzoate is sourced from PubChem (CID 51117205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).