methyl 2-chloro-5-[1-(5-methylfuran-2-yl)ethylamino]benzoate

C15H16ClNO3 — CID 43672750

IUPACmethyl 2-chloro-5-[1-(5-methylfuran-2-yl)ethylamino]benzoate
SMILESCOC(=O)c1cc(NC(C)c2ccc(C)o2)ccc1Cl
InChIInChI=1S/C15H16ClNO3/c1-9-4-7-14(20-9)10(2)17-11-5-6-13(16)12(8-11)15(18)19-3/h4-8,10,17H,1-3H3
InChIKeyAVAMHOBWSSRZQK-UHFFFAOYSA-N
MW293.75 g/mol
LogP4.20
Rot. Bonds4

About methyl 2-chloro-5-[1-(5-methylfuran-2-yl)ethylamino]benzoate

methyl 2-chloro-5-[1-(5-methylfuran-2-yl)ethylamino]benzoate (PubChem CID 43672750) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is methyl 2-chloro-5-[1-(5-methylfuran-2-yl)ethylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-[1-(5-methylfuran-2-yl)ethylamino]benzoate
PubChem CID43672750
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC Namemethyl 2-chloro-5-[1-(5-methylfuran-2-yl)ethylamino]benzoate
SMILESCOC(=O)c1cc(NC(C)c2ccc(C)o2)ccc1Cl
InChIInChI=1S/C15H16ClNO3/c1-9-4-7-14(20-9)10(2)17-11-5-6-13(16)12(8-11)15(18)19-3/h4-8,10,17H,1-3H3
InChIKeyAVAMHOBWSSRZQK-UHFFFAOYSA-N
XLogP4.20
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-chloro-2-[1-(5-methylfuran-2-yl)ethylamino]benzoate
CID 43680654
methyl 2-chloro-5-[1-(3-methylphenyl)ethylamino]benzoate
CID 43778963
methyl 2-chloro-5-[1-(4-iodophenyl)ethylamino]benzoate
CID 43778955
methyl N-[4-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate
CID 43730320
methyl 2-chloro-5-(3-methylpentan-2-ylamino)benzoate
CID 43672639
methyl N-[3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate
CID 60942225
methyl 2-chloro-5-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]benzoate
CID 65192423
5-[1-(5-bromofuran-2-yl)ethylamino]-2-chlorobenzamide
CID 104652478
methyl 2-chloro-5-[1-(1,3-thiazol-2-yl)ethylamino]benzoate
CID 64993310
N-[2-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]phenyl]acetamide
CID 43735957
N-[3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]acetamide
CID 43193733
methyl 4-chloro-2-[1-(5-methylfuran-2-yl)ethylamino]-1,3-thiazole-5-carboxylate
CID 61478614

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-[1-(5-methylfuran-2-yl)ethylamino]benzoate?
The IUPAC name of methyl 2-chloro-5-[1-(5-methylfuran-2-yl)ethylamino]benzoate (CID 43672750) is methyl 2-chloro-5-[1-(5-methylfuran-2-yl)ethylamino]benzoate.
What is the SMILES notation for methyl 2-chloro-5-[1-(5-methylfuran-2-yl)ethylamino]benzoate?
The canonical SMILES for methyl 2-chloro-5-[1-(5-methylfuran-2-yl)ethylamino]benzoate is COC(=O)c1cc(NC(C)c2ccc(C)o2)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-[1-(5-methylfuran-2-yl)ethylamino]benzoate?
The InChIKey is AVAMHOBWSSRZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3/c1-9-4-7-14(20-9)10(2)17-11-5-6-13(16)12(8-11)15(18)19-3/h4-8,10,17H,1-3H3.
What are the key properties of methyl 2-chloro-5-[1-(5-methylfuran-2-yl)ethylamino]benzoate?
methyl 2-chloro-5-[1-(5-methylfuran-2-yl)ethylamino]benzoate has a molecular weight of 293.75 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-[1-(5-methylfuran-2-yl)ethylamino]benzoate is sourced from PubChem (CID 43672750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).