propyl 2-[(2-fluorobenzoyl)amino]-4-methylbenzoate

C18H18FNO3 — CID 44577508

IUPACpropyl 2-[(2-fluorobenzoyl)amino]-4-methylbenzoate
SMILESCCCOC(=O)c1ccc(C)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C18H18FNO3/c1-3-10-23-18(22)14-9-8-12(2)11-16(14)20-17(21)13-6-4-5-7-15(13)19/h4-9,11H,3,10H2,1-2H3,(H,20,21)
InChIKeyPAHJNIIBZJJYBA-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.95
Rot. Bonds5

About propyl 2-[(2-fluorobenzoyl)amino]-4-methylbenzoate

propyl 2-[(2-fluorobenzoyl)amino]-4-methylbenzoate (PubChem CID 44577508) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is propyl 2-[(2-fluorobenzoyl)amino]-4-methylbenzoate.

Molecular Properties

Compound Namepropyl 2-[(2-fluorobenzoyl)amino]-4-methylbenzoate
PubChem CID44577508
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Namepropyl 2-[(2-fluorobenzoyl)amino]-4-methylbenzoate
SMILESCCCOC(=O)c1ccc(C)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C18H18FNO3/c1-3-10-23-18(22)14-9-8-12(2)11-16(14)20-17(21)13-6-4-5-7-15(13)19/h4-9,11H,3,10H2,1-2H3,(H,20,21)
InChIKeyPAHJNIIBZJJYBA-UHFFFAOYSA-N
XLogP3.95
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze propyl 2-[(2-fluorobenzoyl)amino]-4-methylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Etofenamate
CID 35375
Cinnamyl Anthranilate
CID 5284369
Methyl n-acetylanthranilate
CID 17623
Ethyl N-methylanthranilate
CID 101365
Methyl n-formylanthranilate
CID 162458
N-Benzoylanthranilate
CID 5091716
Ethyl N-ethylanthranilate
CID 61980
Isobutyl N-methylanthranilate
CID 522171
Ufenamate
CID 5632
Ethyl 4-(benzoylamino)benzoate
CID 12914
N-(p-Amylcinnamoyl)anthranilic acid
CID 5353376
Methyl 3-(propionylamino)benzoate
CID 730634

Frequently Asked Questions

What is the IUPAC name of propyl 2-[(2-fluorobenzoyl)amino]-4-methylbenzoate?
The IUPAC name of propyl 2-[(2-fluorobenzoyl)amino]-4-methylbenzoate (CID 44577508) is propyl 2-[(2-fluorobenzoyl)amino]-4-methylbenzoate.
What is the SMILES notation for propyl 2-[(2-fluorobenzoyl)amino]-4-methylbenzoate?
The canonical SMILES for propyl 2-[(2-fluorobenzoyl)amino]-4-methylbenzoate is CCCOC(=O)c1ccc(C)cc1NC(=O)c1ccccc1F.
What is the InChIKey of propyl 2-[(2-fluorobenzoyl)amino]-4-methylbenzoate?
The InChIKey is PAHJNIIBZJJYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3/c1-3-10-23-18(22)14-9-8-12(2)11-16(14)20-17(21)13-6-4-5-7-15(13)19/h4-9,11H,3,10H2,1-2H3,(H,20,21).
What are the key properties of propyl 2-[(2-fluorobenzoyl)amino]-4-methylbenzoate?
propyl 2-[(2-fluorobenzoyl)amino]-4-methylbenzoate has a molecular weight of 315.34 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[(2-fluorobenzoyl)amino]-4-methylbenzoate is sourced from PubChem (CID 44577508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).