methyl 4-chloro-2-[1-(2-fluorophenyl)ethylamino]benzoate

C16H15ClFNO2 — CID 43680646

IUPACmethyl 4-chloro-2-[1-(2-fluorophenyl)ethylamino]benzoate
SMILESCOC(=O)c1ccc(Cl)cc1NC(C)c1ccccc1F
InChIInChI=1S/C16H15ClFNO2/c1-10(12-5-3-4-6-14(12)18)19-15-9-11(17)7-8-13(15)16(20)21-2/h3-10,19H,1-2H3
InChIKeyQYEOOZOWSHIMFI-UHFFFAOYSA-N
MW307.75 g/mol
LogP4.44
Rot. Bonds4

About methyl 4-chloro-2-[1-(2-fluorophenyl)ethylamino]benzoate

methyl 4-chloro-2-[1-(2-fluorophenyl)ethylamino]benzoate (PubChem CID 43680646) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is methyl 4-chloro-2-[1-(2-fluorophenyl)ethylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[1-(2-fluorophenyl)ethylamino]benzoate
PubChem CID43680646
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Namemethyl 4-chloro-2-[1-(2-fluorophenyl)ethylamino]benzoate
SMILESCOC(=O)c1ccc(Cl)cc1NC(C)c1ccccc1F
InChIInChI=1S/C16H15ClFNO2/c1-10(12-5-3-4-6-14(12)18)19-15-9-11(17)7-8-13(15)16(20)21-2/h3-10,19H,1-2H3
InChIKeyQYEOOZOWSHIMFI-UHFFFAOYSA-N
XLogP4.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[1-(2-fluorophenyl)ethylamino]benzoic acid
CID 63512040
methyl 2-[1-(2-bromophenyl)ethylamino]-5-chlorobenzoate
CID 43678838
methyl 4-chloro-2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]benzoate
CID 65192222
methyl 4-chloro-2-[1-(5-methylfuran-2-yl)ethylamino]benzoate
CID 43680654
methyl 4-chloro-2-(3-methoxybutan-2-ylamino)benzoate
CID 113481640
methyl 4-chloro-2-[[2-(2-fluorophenyl)acetyl]amino]benzoate
CID 2090617
2,3-difluoro-4-[1-(2-fluorophenyl)ethylamino]benzoic acid
CID 79834697
methyl 2-[1-(3-chlorophenyl)ethylamino]benzoate
CID 43321995
5-fluoro-2-[1-(2-fluorophenyl)ethylamino]benzoic acid
CID 63673161
2,4,5-trichloro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 43108233
methyl 4-chloro-2-(2-chloropropanoylamino)benzoate
CID 43346414
2,3,4-trifluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 43192515

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[1-(2-fluorophenyl)ethylamino]benzoate?
The IUPAC name of methyl 4-chloro-2-[1-(2-fluorophenyl)ethylamino]benzoate (CID 43680646) is methyl 4-chloro-2-[1-(2-fluorophenyl)ethylamino]benzoate.
What is the SMILES notation for methyl 4-chloro-2-[1-(2-fluorophenyl)ethylamino]benzoate?
The canonical SMILES for methyl 4-chloro-2-[1-(2-fluorophenyl)ethylamino]benzoate is COC(=O)c1ccc(Cl)cc1NC(C)c1ccccc1F.
What is the InChIKey of methyl 4-chloro-2-[1-(2-fluorophenyl)ethylamino]benzoate?
The InChIKey is QYEOOZOWSHIMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c1-10(12-5-3-4-6-14(12)18)19-15-9-11(17)7-8-13(15)16(20)21-2/h3-10,19H,1-2H3.
What are the key properties of methyl 4-chloro-2-[1-(2-fluorophenyl)ethylamino]benzoate?
methyl 4-chloro-2-[1-(2-fluorophenyl)ethylamino]benzoate has a molecular weight of 307.75 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[1-(2-fluorophenyl)ethylamino]benzoate is sourced from PubChem (CID 43680646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).