methyl 4-chloro-2-[1-(5-methylfuran-2-yl)ethylamino]benzoate

C15H16ClNO3 — CID 43680654

IUPACmethyl 4-chloro-2-[1-(5-methylfuran-2-yl)ethylamino]benzoate
SMILESCOC(=O)c1ccc(Cl)cc1NC(C)c1ccc(C)o1
InChIInChI=1S/C15H16ClNO3/c1-9-4-7-14(20-9)10(2)17-13-8-11(16)5-6-12(13)15(18)19-3/h4-8,10,17H,1-3H3
InChIKeyQSCZIBSGBLONLB-UHFFFAOYSA-N
MW293.75 g/mol
LogP4.20
Rot. Bonds4

About methyl 4-chloro-2-[1-(5-methylfuran-2-yl)ethylamino]benzoate

methyl 4-chloro-2-[1-(5-methylfuran-2-yl)ethylamino]benzoate (PubChem CID 43680654) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is methyl 4-chloro-2-[1-(5-methylfuran-2-yl)ethylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[1-(5-methylfuran-2-yl)ethylamino]benzoate
PubChem CID43680654
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC Namemethyl 4-chloro-2-[1-(5-methylfuran-2-yl)ethylamino]benzoate
SMILESCOC(=O)c1ccc(Cl)cc1NC(C)c1ccc(C)o1
InChIInChI=1S/C15H16ClNO3/c1-9-4-7-14(20-9)10(2)17-13-8-11(16)5-6-12(13)15(18)19-3/h4-8,10,17H,1-3H3
InChIKeyQSCZIBSGBLONLB-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 2-chloro-5-[1-(5-methylfuran-2-yl)ethylamino]benzoate
CID 43672750
2-bromo-5-chloro-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 81271203
methyl 4-chloro-2-[1-(2-fluorophenyl)ethylamino]benzoate
CID 43680646
methyl 4-chloro-2-(3-methoxybutan-2-ylamino)benzoate
CID 113481640
methyl 5-[1-(2,4-dichloroanilino)ethyl]furan-2-carboxylate
CID 103232280
2-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 81263735
methyl 4-chloro-2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]benzoate
CID 65192222
methyl 4-chloro-2-[3-(5-methylfuran-2-yl)prop-2-enoylamino]benzoate
CID 53457544
2-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 103764047
methyl 4-chloro-2-(2-chloropropanoylamino)benzoate
CID 43346414
methyl 2-acetamido-4-chlorobenzoate
CID 2800203
methyl 4-chloro-2-(2-sulfanylpropanoylamino)benzoate
CID 163684546

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[1-(5-methylfuran-2-yl)ethylamino]benzoate?
The IUPAC name of methyl 4-chloro-2-[1-(5-methylfuran-2-yl)ethylamino]benzoate (CID 43680654) is methyl 4-chloro-2-[1-(5-methylfuran-2-yl)ethylamino]benzoate.
What is the SMILES notation for methyl 4-chloro-2-[1-(5-methylfuran-2-yl)ethylamino]benzoate?
The canonical SMILES for methyl 4-chloro-2-[1-(5-methylfuran-2-yl)ethylamino]benzoate is COC(=O)c1ccc(Cl)cc1NC(C)c1ccc(C)o1.
What is the InChIKey of methyl 4-chloro-2-[1-(5-methylfuran-2-yl)ethylamino]benzoate?
The InChIKey is QSCZIBSGBLONLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3/c1-9-4-7-14(20-9)10(2)17-13-8-11(16)5-6-12(13)15(18)19-3/h4-8,10,17H,1-3H3.
What are the key properties of methyl 4-chloro-2-[1-(5-methylfuran-2-yl)ethylamino]benzoate?
methyl 4-chloro-2-[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 4-chloro-2-[1-(5-methylfuran-2-yl)ethylamino]benzoate is sourced from PubChem (CID 43680654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).