methyl 2-[1-(3-chlorophenyl)ethylamino]benzoate

C16H16ClNO2 — CID 43321995

IUPACmethyl 2-[1-(3-chlorophenyl)ethylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(C)c1cccc(Cl)c1
InChIInChI=1S/C16H16ClNO2/c1-11(12-6-5-7-13(17)10-12)18-15-9-4-3-8-14(15)16(19)20-2/h3-11,18H,1-2H3
InChIKeyMDGBHXYLWVNXBN-UHFFFAOYSA-N
MW289.76 g/mol
LogP4.30
Rot. Bonds4

About methyl 2-[1-(3-chlorophenyl)ethylamino]benzoate

methyl 2-[1-(3-chlorophenyl)ethylamino]benzoate (PubChem CID 43321995) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is methyl 2-[1-(3-chlorophenyl)ethylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[1-(3-chlorophenyl)ethylamino]benzoate
PubChem CID43321995
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Namemethyl 2-[1-(3-chlorophenyl)ethylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(C)c1cccc(Cl)c1
InChIInChI=1S/C16H16ClNO2/c1-11(12-6-5-7-13(17)10-12)18-15-9-4-3-8-14(15)16(19)20-2/h3-11,18H,1-2H3
InChIKeyMDGBHXYLWVNXBN-UHFFFAOYSA-N
XLogP4.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[1-(3,5-dihydroxyphenyl)ethylamino]benzoate
CID 107705419
methyl 2-[1-(3-bromo-4-fluorophenyl)ethylamino]benzoate
CID 43774553
methyl 2-[1-(4-methylphenyl)ethylamino]benzoate
CID 43322026
methyl 4-amino-3-[1-(3-chlorophenyl)ethylamino]benzoate
CID 82776037
[(1R)-1-(3-chlorophenyl)ethyl]-[2-(2-methoxycarbonylanilino)-2-oxoethyl]azanium
CID 9331231
methyl 2-amino-3-(1-phenylethylamino)benzoate
CID 115544214
methyl 4-fluoro-2-[1-(3-fluorophenyl)ethylamino]benzoate
CID 43735257
methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]benzoate
CID 43439198
methyl 2-[1-(4-bromophenyl)ethylamino]-5-chlorobenzoate
CID 43678801
2-[1-(3-chlorophenyl)ethylamino]-4-methylbenzoic acid
CID 63511697
methyl 5-fluoro-2-(1-phenylethylamino)benzoate
CID 43735544
4-amino-3-[1-(3-chlorophenyl)ethylamino]benzamide
CID 63356730

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(3-chlorophenyl)ethylamino]benzoate?
The IUPAC name of methyl 2-[1-(3-chlorophenyl)ethylamino]benzoate (CID 43321995) is methyl 2-[1-(3-chlorophenyl)ethylamino]benzoate.
What is the SMILES notation for methyl 2-[1-(3-chlorophenyl)ethylamino]benzoate?
The canonical SMILES for methyl 2-[1-(3-chlorophenyl)ethylamino]benzoate is COC(=O)c1ccccc1NC(C)c1cccc(Cl)c1.
What is the InChIKey of methyl 2-[1-(3-chlorophenyl)ethylamino]benzoate?
The InChIKey is MDGBHXYLWVNXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-11(12-6-5-7-13(17)10-12)18-15-9-4-3-8-14(15)16(19)20-2/h3-11,18H,1-2H3.
What are the key properties of methyl 2-[1-(3-chlorophenyl)ethylamino]benzoate?
methyl 2-[1-(3-chlorophenyl)ethylamino]benzoate has a molecular weight of 289.76 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(3-chlorophenyl)ethylamino]benzoate is sourced from PubChem (CID 43321995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).