methyl 2-fluoro-5-[1-(furan-2-yl)propan-2-ylamino]benzoate

C15H16FNO3 — CID 63086324

IUPACmethyl 2-fluoro-5-[1-(furan-2-yl)propan-2-ylamino]benzoate
SMILESCOC(=O)c1cc(NC(C)Cc2ccco2)ccc1F
InChIInChI=1S/C15H16FNO3/c1-10(8-12-4-3-7-20-12)17-11-5-6-14(16)13(9-11)15(18)19-2/h3-7,9-10,17H,8H2,1-2H3
InChIKeyJDCJDDLOZSNTGD-UHFFFAOYSA-N
MW277.30 g/mol
LogP3.25
Rot. Bonds5

About methyl 2-fluoro-5-[1-(furan-2-yl)propan-2-ylamino]benzoate

methyl 2-fluoro-5-[1-(furan-2-yl)propan-2-ylamino]benzoate (PubChem CID 63086324) has the molecular formula C15H16FNO3 and a molecular weight of 277.30 g/mol. Its IUPAC name is methyl 2-fluoro-5-[1-(furan-2-yl)propan-2-ylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-fluoro-5-[1-(furan-2-yl)propan-2-ylamino]benzoate
PubChem CID63086324
Molecular FormulaC15H16FNO3
Molecular Weight277.30 g/mol
Exact Mass277.11
IUPAC Namemethyl 2-fluoro-5-[1-(furan-2-yl)propan-2-ylamino]benzoate
SMILESCOC(=O)c1cc(NC(C)Cc2ccco2)ccc1F
InChIInChI=1S/C15H16FNO3/c1-10(8-12-4-3-7-20-12)17-11-5-6-14(16)13(9-11)15(18)19-2/h3-7,9-10,17H,8H2,1-2H3
InChIKeyJDCJDDLOZSNTGD-UHFFFAOYSA-N
XLogP3.25
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-fluoro-5-(furan-2-ylmethylamino)benzoate
CID 43715391
4-(difluoromethoxy)-3-fluoro-N-[1-(furan-2-yl)propan-2-yl]aniline
CID 63084467
2-bromo-4-[1-(furan-2-yl)propan-2-ylamino]benzoic acid
CID 107281770
N-[1-(furan-2-yl)propan-2-yl]-3,4-dimethoxyaniline
CID 63099420
2-chloro-4-[1-(furan-2-yl)propan-2-ylamino]benzamide
CID 63085843
5-chloro-2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47168787
3-[1-(furan-2-yl)propan-2-ylamino]benzoic acid
CID 63098734
4-fluoro-3-[1-(furan-2-yl)propan-2-ylamino]benzamide
CID 63083935
6-bromo-N-[1-(furan-2-yl)propan-2-yl]naphthalen-2-amine
CID 81260554
N-[1-(furan-2-yl)propan-2-yl]-3,5-dimethylaniline
CID 63099916
2-[4-[1-(furan-2-yl)propan-2-ylamino]phenyl]-N,N-dimethylacetamide
CID 63085829
methyl 4-fluoro-3-[4-(furan-2-yl)butan-2-ylamino]benzoate
CID 43684512

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-5-[1-(furan-2-yl)propan-2-ylamino]benzoate?
The IUPAC name of methyl 2-fluoro-5-[1-(furan-2-yl)propan-2-ylamino]benzoate (CID 63086324) is methyl 2-fluoro-5-[1-(furan-2-yl)propan-2-ylamino]benzoate.
What is the SMILES notation for methyl 2-fluoro-5-[1-(furan-2-yl)propan-2-ylamino]benzoate?
The canonical SMILES for methyl 2-fluoro-5-[1-(furan-2-yl)propan-2-ylamino]benzoate is COC(=O)c1cc(NC(C)Cc2ccco2)ccc1F.
What is the InChIKey of methyl 2-fluoro-5-[1-(furan-2-yl)propan-2-ylamino]benzoate?
The InChIKey is JDCJDDLOZSNTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3/c1-10(8-12-4-3-7-20-12)17-11-5-6-14(16)13(9-11)15(18)19-2/h3-7,9-10,17H,8H2,1-2H3.
What are the key properties of methyl 2-fluoro-5-[1-(furan-2-yl)propan-2-ylamino]benzoate?
methyl 2-fluoro-5-[1-(furan-2-yl)propan-2-ylamino]benzoate has a molecular weight of 277.30 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-5-[1-(furan-2-yl)propan-2-ylamino]benzoate is sourced from PubChem (CID 63086324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).