methyl 3-[acetyl-[2-[(4-fluorobenzoyl)amino]ethyl]amino]benzoate

C19H19FN2O4 — CID 113061960

IUPACmethyl 3-[acetyl-[2-[(4-fluorobenzoyl)amino]ethyl]amino]benzoate
SMILESCOC(=O)c1cccc(N(CCNC(=O)c2ccc(F)cc2)C(C)=O)c1
InChIInChI=1S/C19H19FN2O4/c1-13(23)22(17-5-3-4-15(12-17)19(25)26-2)11-10-21-18(24)14-6-8-16(20)9-7-14/h3-9,12H,10-11H2,1-2H3,(H,21,24)
InChIKeyODIDJIOZOLJAAC-UHFFFAOYSA-N
MW358.37 g/mol
LogP2.40
Rot. Bonds6

About methyl 3-[acetyl-[2-[(4-fluorobenzoyl)amino]ethyl]amino]benzoate

methyl 3-[acetyl-[2-[(4-fluorobenzoyl)amino]ethyl]amino]benzoate (PubChem CID 113061960) has the molecular formula C19H19FN2O4 and a molecular weight of 358.37 g/mol. Its IUPAC name is methyl 3-[acetyl-[2-[(4-fluorobenzoyl)amino]ethyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[acetyl-[2-[(4-fluorobenzoyl)amino]ethyl]amino]benzoate
PubChem CID113061960
Molecular FormulaC19H19FN2O4
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC Namemethyl 3-[acetyl-[2-[(4-fluorobenzoyl)amino]ethyl]amino]benzoate
SMILESCOC(=O)c1cccc(N(CCNC(=O)c2ccc(F)cc2)C(C)=O)c1
InChIInChI=1S/C19H19FN2O4/c1-13(23)22(17-5-3-4-15(12-17)19(25)26-2)11-10-21-18(24)14-6-8-16(20)9-7-14/h3-9,12H,10-11H2,1-2H3,(H,21,24)
InChIKeyODIDJIOZOLJAAC-UHFFFAOYSA-N
XLogP2.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[acetyl-[2-[(2-fluorobenzoyl)amino]ethyl]amino]benzoate
CID 113061958
methyl 3-[acetyl-[2-(methoxycarbonylamino)ethyl]amino]benzoate
CID 113061991
methyl 3-[acetyl-[2-[(2-methylbenzoyl)amino]ethyl]amino]benzoate
CID 113061955
methyl 2-[acetyl-[2-[(4-fluorobenzoyl)amino]ethyl]amino]benzoate
CID 113061889
N-[2-(N,4-diacetylanilino)ethyl]-4-fluorobenzamide
CID 113061648
methyl 3-[acetyl-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]amino]benzoate
CID 113061971
N-[2-(N-acetyl-3-chloro-4-fluoroanilino)ethyl]-4-fluorobenzamide
CID 113060070
N-[2-(N-acetyl-3-fluoroanilino)ethyl]-3,4-difluorobenzamide
CID 113062649
N-[2-(N-acetyl-3-methylanilino)ethyl]-3-fluorobenzamide
CID 113057422
methyl 4-[acetyl-[2-[(4-methylbenzoyl)amino]ethyl]amino]benzoate
CID 113062028
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-4-fluorobenzamide
CID 113059098
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-3,4-difluorobenzamide
CID 113059331

Frequently Asked Questions

What is the IUPAC name of methyl 3-[acetyl-[2-[(4-fluorobenzoyl)amino]ethyl]amino]benzoate?
The IUPAC name of methyl 3-[acetyl-[2-[(4-fluorobenzoyl)amino]ethyl]amino]benzoate (CID 113061960) is methyl 3-[acetyl-[2-[(4-fluorobenzoyl)amino]ethyl]amino]benzoate.
What is the SMILES notation for methyl 3-[acetyl-[2-[(4-fluorobenzoyl)amino]ethyl]amino]benzoate?
The canonical SMILES for methyl 3-[acetyl-[2-[(4-fluorobenzoyl)amino]ethyl]amino]benzoate is COC(=O)c1cccc(N(CCNC(=O)c2ccc(F)cc2)C(C)=O)c1.
What is the InChIKey of methyl 3-[acetyl-[2-[(4-fluorobenzoyl)amino]ethyl]amino]benzoate?
The InChIKey is ODIDJIOZOLJAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4/c1-13(23)22(17-5-3-4-15(12-17)19(25)26-2)11-10-21-18(24)14-6-8-16(20)9-7-14/h3-9,12H,10-11H2,1-2H3,(H,21,24).
What are the key properties of methyl 3-[acetyl-[2-[(4-fluorobenzoyl)amino]ethyl]amino]benzoate?
methyl 3-[acetyl-[2-[(4-fluorobenzoyl)amino]ethyl]amino]benzoate has a molecular weight of 358.37 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[acetyl-[2-[(4-fluorobenzoyl)amino]ethyl]amino]benzoate is sourced from PubChem (CID 113061960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).