methyl 3-[benzoyl(propyl)amino]-2-fluorobenzoate

C18H18FNO3 — CID 58298665

IUPACmethyl 3-[benzoyl(propyl)amino]-2-fluorobenzoate
SMILESCCCN(C(=O)c1ccccc1)c1cccc(C(=O)OC)c1F
InChIInChI=1S/C18H18FNO3/c1-3-12-20(17(21)13-8-5-4-6-9-13)15-11-7-10-14(16(15)19)18(22)23-2/h4-11H,3,12H2,1-2H3
InChIKeyKQUSCOQDAWAGLF-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.67
Rot. Bonds5

About methyl 3-[benzoyl(propyl)amino]-2-fluorobenzoate

methyl 3-[benzoyl(propyl)amino]-2-fluorobenzoate (PubChem CID 58298665) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is methyl 3-[benzoyl(propyl)amino]-2-fluorobenzoate.

Molecular Properties

Compound Namemethyl 3-[benzoyl(propyl)amino]-2-fluorobenzoate
PubChem CID58298665
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Namemethyl 3-[benzoyl(propyl)amino]-2-fluorobenzoate
SMILESCCCN(C(=O)c1ccccc1)c1cccc(C(=O)OC)c1F
InChIInChI=1S/C18H18FNO3/c1-3-12-20(17(21)13-8-5-4-6-9-13)15-11-7-10-14(16(15)19)18(22)23-2/h4-11H,3,12H2,1-2H3
InChIKeyKQUSCOQDAWAGLF-UHFFFAOYSA-N
XLogP3.67
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(2-bromoacetyl)-propylamino]benzoate
CID 21480472
N-(2-aminophenyl)-N-propylbenzamide
CID 63230394
N-(3-amino-3-oxopropyl)-N-(2-fluoro-3-methylphenyl)benzamide
CID 130328320
methyl 2-fluoro-3-propanoylbenzoate
CID 178189126
methyl 2-fluoro-3-propoxybenzoate
CID 146035428
methyl 3-cyano-2-fluorobenzoate
CID 91882344
methyl 2-[acetyl-[3-[benzyl(ethyl)amino]-3-oxopropyl]amino]benzoate
CID 113131236
methyl 2-[2-acetamidoethyl(acetyl)amino]benzoate
CID 113061870
methyl 2-[acetyl-[2-[(4-fluorobenzoyl)amino]ethyl]amino]benzoate
CID 113061889
methyl 2-[carbamoyl-[(2S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]amino]benzoate
CID 70351318
methyl 2-[methyl-(4-methylbenzoyl)amino]benzoate
CID 20787954
methyl 2-[acetyl-[2-[(3-methoxybenzoyl)amino]ethyl]amino]benzoate
CID 113061891

Frequently Asked Questions

What is the IUPAC name of methyl 3-[benzoyl(propyl)amino]-2-fluorobenzoate?
The IUPAC name of methyl 3-[benzoyl(propyl)amino]-2-fluorobenzoate (CID 58298665) is methyl 3-[benzoyl(propyl)amino]-2-fluorobenzoate.
What is the SMILES notation for methyl 3-[benzoyl(propyl)amino]-2-fluorobenzoate?
The canonical SMILES for methyl 3-[benzoyl(propyl)amino]-2-fluorobenzoate is CCCN(C(=O)c1ccccc1)c1cccc(C(=O)OC)c1F.
What is the InChIKey of methyl 3-[benzoyl(propyl)amino]-2-fluorobenzoate?
The InChIKey is KQUSCOQDAWAGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3/c1-3-12-20(17(21)13-8-5-4-6-9-13)15-11-7-10-14(16(15)19)18(22)23-2/h4-11H,3,12H2,1-2H3.
What are the key properties of methyl 3-[benzoyl(propyl)amino]-2-fluorobenzoate?
methyl 3-[benzoyl(propyl)amino]-2-fluorobenzoate has a molecular weight of 315.34 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[benzoyl(propyl)amino]-2-fluorobenzoate is sourced from PubChem (CID 58298665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).