(2-fluorophenyl)methyl 4-acetamido-5-chloro-2-methoxybenzoate

C17H15ClFNO4 — CID 163338539

IUPAC(2-fluorophenyl)methyl 4-acetamido-5-chloro-2-methoxybenzoate
SMILESCOc1cc(NC(C)=O)c(Cl)cc1C(=O)OCc1ccccc1F
InChIInChI=1S/C17H15ClFNO4/c1-10(21)20-15-8-16(23-2)12(7-13(15)18)17(22)24-9-11-5-3-4-6-14(11)19/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeyIKXUGSZABLOUGA-UHFFFAOYSA-N
MW351.76 g/mol
LogP3.80
Rot. Bonds5

About (2-fluorophenyl)methyl 4-acetamido-5-chloro-2-methoxybenzoate

(2-fluorophenyl)methyl 4-acetamido-5-chloro-2-methoxybenzoate (PubChem CID 163338539) has the molecular formula C17H15ClFNO4 and a molecular weight of 351.76 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 4-acetamido-5-chloro-2-methoxybenzoate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 4-acetamido-5-chloro-2-methoxybenzoate
PubChem CID163338539
Molecular FormulaC17H15ClFNO4
Molecular Weight351.76 g/mol
Exact Mass351.07
IUPAC Name(2-fluorophenyl)methyl 4-acetamido-5-chloro-2-methoxybenzoate
SMILESCOc1cc(NC(C)=O)c(Cl)cc1C(=O)OCc1ccccc1F
InChIInChI=1S/C17H15ClFNO4/c1-10(21)20-15-8-16(23-2)12(7-13(15)18)17(22)24-9-11-5-3-4-6-14(11)19/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeyIKXUGSZABLOUGA-UHFFFAOYSA-N
XLogP3.80
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.76
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetamido-5-chloro-N-(2-ethylphenyl)-2-methoxybenzamide
CID 17257106
[2-(2,4-dichlorophenyl)-2-oxoethyl] 4-acetamido-5-chloro-2-methoxybenzoate
CID 126187635
methyl 2-[(4-acetamido-5-chloro-2-methoxybenzoyl)amino]benzoate
CID 2988921
4-acetamido-5-chloro-2-methoxy-N-(2-methylphenyl)benzamide
CID 17257138
(2-fluorophenyl)methyl 5-amino-2,3-dichlorobenzoate
CID 103720382
[2-(2-fluoroanilino)-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate
CID 2570793
ethyl 5-chloro-4-[(3-fluorobenzoyl)amino]-2-methoxybenzoate
CID 19229022
(2-fluorophenyl)methyl 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate
CID 7854708
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate
CID 7826073
N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 60709552
4-acetamido-5-chloro-N-(2-hydroxyethyl)-2-methoxybenzamide
CID 154085397
4-acetamido-5-chloro-2-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 7356959

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 4-acetamido-5-chloro-2-methoxybenzoate?
The IUPAC name of (2-fluorophenyl)methyl 4-acetamido-5-chloro-2-methoxybenzoate (CID 163338539) is (2-fluorophenyl)methyl 4-acetamido-5-chloro-2-methoxybenzoate.
What is the SMILES notation for (2-fluorophenyl)methyl 4-acetamido-5-chloro-2-methoxybenzoate?
The canonical SMILES for (2-fluorophenyl)methyl 4-acetamido-5-chloro-2-methoxybenzoate is COc1cc(NC(C)=O)c(Cl)cc1C(=O)OCc1ccccc1F.
What is the InChIKey of (2-fluorophenyl)methyl 4-acetamido-5-chloro-2-methoxybenzoate?
The InChIKey is IKXUGSZABLOUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO4/c1-10(21)20-15-8-16(23-2)12(7-13(15)18)17(22)24-9-11-5-3-4-6-14(11)19/h3-8H,9H2,1-2H3,(H,20,21).
What are the key properties of (2-fluorophenyl)methyl 4-acetamido-5-chloro-2-methoxybenzoate?
(2-fluorophenyl)methyl 4-acetamido-5-chloro-2-methoxybenzoate has a molecular weight of 351.76 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 4-acetamido-5-chloro-2-methoxybenzoate is sourced from PubChem (CID 163338539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).