methyl 4-[(4-fluoro-3-methoxybenzoyl)-methylamino]butanoate

C14H18FNO4 — CID 80980046

IUPACmethyl 4-[(4-fluoro-3-methoxybenzoyl)-methylamino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)c1ccc(F)c(OC)c1
InChIInChI=1S/C14H18FNO4/c1-16(8-4-5-13(17)20-3)14(18)10-6-7-11(15)12(9-10)19-2/h6-7,9H,4-5,8H2,1-3H3
InChIKeySEOIGLMRTPTBJT-UHFFFAOYSA-N
MW283.30 g/mol
LogP1.86
Rot. Bonds6

About methyl 4-[(4-fluoro-3-methoxybenzoyl)-methylamino]butanoate

methyl 4-[(4-fluoro-3-methoxybenzoyl)-methylamino]butanoate (PubChem CID 80980046) has the molecular formula C14H18FNO4 and a molecular weight of 283.30 g/mol. Its IUPAC name is methyl 4-[(4-fluoro-3-methoxybenzoyl)-methylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[(4-fluoro-3-methoxybenzoyl)-methylamino]butanoate
PubChem CID80980046
Molecular FormulaC14H18FNO4
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Namemethyl 4-[(4-fluoro-3-methoxybenzoyl)-methylamino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)c1ccc(F)c(OC)c1
InChIInChI=1S/C14H18FNO4/c1-16(8-4-5-13(17)20-3)14(18)10-6-7-11(15)12(9-10)19-2/h6-7,9H,4-5,8H2,1-3H3
InChIKeySEOIGLMRTPTBJT-UHFFFAOYSA-N
XLogP1.86
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-fluoro-3-methoxybenzoyl)-methylamino]propanoic acid
CID 81283720
N-(5-aminopentyl)-4-fluoro-3-methoxy-N-methylbenzamide
CID 107206607
methyl 4-[(3-fluoro-4-methylbenzoyl)-methylamino]butanoate
CID 54943134
2-[(4-fluoro-3-methoxybenzoyl)-methylamino]acetic acid
CID 81283075
N-(3-aminopropyl)-3-fluoro-4-methoxy-N-methylbenzamide
CID 55130619
methyl 4-[(4-chloro-3-methylbenzoyl)-methylamino]butanoate
CID 112699203
methyl 4-[(3-amino-4-methylbenzoyl)-methylamino]butanoate
CID 60947543
methyl 4-[[3-(dimethylamino)benzoyl]-methylamino]butanoate
CID 60714423
methyl 3-[(3-fluoro-4-methylbenzoyl)-methylamino]propanoate
CID 54979810
methyl 4-[[3-amino-4-(dimethylamino)benzoyl]-methylamino]butanoate
CID 61108493
methyl 4-[[4-(hydroxymethyl)benzoyl]-methylamino]butanoate
CID 55006062
4-fluoro-3-methoxy-N-methyl-N-[4-[methyl-(2-pyrrol-1-ylbenzoyl)amino]butyl]benzamide
CID 154849064

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-fluoro-3-methoxybenzoyl)-methylamino]butanoate?
The IUPAC name of methyl 4-[(4-fluoro-3-methoxybenzoyl)-methylamino]butanoate (CID 80980046) is methyl 4-[(4-fluoro-3-methoxybenzoyl)-methylamino]butanoate.
What is the SMILES notation for methyl 4-[(4-fluoro-3-methoxybenzoyl)-methylamino]butanoate?
The canonical SMILES for methyl 4-[(4-fluoro-3-methoxybenzoyl)-methylamino]butanoate is COC(=O)CCCN(C)C(=O)c1ccc(F)c(OC)c1.
What is the InChIKey of methyl 4-[(4-fluoro-3-methoxybenzoyl)-methylamino]butanoate?
The InChIKey is SEOIGLMRTPTBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4/c1-16(8-4-5-13(17)20-3)14(18)10-6-7-11(15)12(9-10)19-2/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of methyl 4-[(4-fluoro-3-methoxybenzoyl)-methylamino]butanoate?
methyl 4-[(4-fluoro-3-methoxybenzoyl)-methylamino]butanoate has a molecular weight of 283.30 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-fluoro-3-methoxybenzoyl)-methylamino]butanoate is sourced from PubChem (CID 80980046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).