[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-fluorobenzoate

C18H17FN2O4 — CID 2523545

IUPAC[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-fluorobenzoate
SMILESCc1ccc(NC(=O)NC(=O)COC(=O)c2cccc(F)c2)c(C)c1
InChIInChI=1S/C18H17FN2O4/c1-11-6-7-15(12(2)8-11)20-18(24)21-16(22)10-25-17(23)13-4-3-5-14(19)9-13/h3-9H,10H2,1-2H3,(H2,20,21,22,24)
InChIKeyBVOJITHULDMKQJ-UHFFFAOYSA-N
MW344.34 g/mol
LogP2.95
Rot. Bonds4

About [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-fluorobenzoate

[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-fluorobenzoate (PubChem CID 2523545) has the molecular formula C18H17FN2O4 and a molecular weight of 344.34 g/mol. Its IUPAC name is [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-fluorobenzoate.

Molecular Properties

Compound Name[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-fluorobenzoate
PubChem CID2523545
Molecular FormulaC18H17FN2O4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC Name[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-fluorobenzoate
SMILESCc1ccc(NC(=O)NC(=O)COC(=O)c2cccc(F)c2)c(C)c1
InChIInChI=1S/C18H17FN2O4/c1-11-6-7-15(12(2)8-11)20-18(24)21-16(22)10-25-17(23)13-4-3-5-14(19)9-13/h3-9H,10H2,1-2H3,(H2,20,21,22,24)
InChIKeyBVOJITHULDMKQJ-UHFFFAOYSA-N
XLogP2.95
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3,5-dimethylbenzoate
CID 7747785
N-[(2,4-dimethylphenyl)carbamoyl]-2-(3-fluorophenoxy)acetamide
CID 7834460
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 4-bromobenzoate
CID 2625552
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 3-fluorobenzoate
CID 8612544
3-O-[2-(2,4-dimethylanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate
CID 46860621
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8728554
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-iodobenzoate
CID 2509396
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 16536890
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-methyl-2-nitrobenzoate
CID 7233751
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8527827
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7193555
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] (E)-3-(2-fluorophenyl)prop-2-enoate
CID 7485311

Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-fluorobenzoate?
The IUPAC name of [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-fluorobenzoate (CID 2523545) is [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-fluorobenzoate.
What is the SMILES notation for [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-fluorobenzoate?
The canonical SMILES for [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-fluorobenzoate is Cc1ccc(NC(=O)NC(=O)COC(=O)c2cccc(F)c2)c(C)c1.
What is the InChIKey of [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-fluorobenzoate?
The InChIKey is BVOJITHULDMKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4/c1-11-6-7-15(12(2)8-11)20-18(24)21-16(22)10-25-17(23)13-4-3-5-14(19)9-13/h3-9H,10H2,1-2H3,(H2,20,21,22,24).
What are the key properties of [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-fluorobenzoate?
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-fluorobenzoate has a molecular weight of 344.34 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-fluorobenzoate is sourced from PubChem (CID 2523545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).