(2-chloro-6-fluorophenyl)methyl 2-benzamidoacetate

C16H13ClFNO3 — CID 954138

IUPAC(2-chloro-6-fluorophenyl)methyl 2-benzamidoacetate
SMILESO=C(CNC(=O)c1ccccc1)OCc1c(F)cccc1Cl
InChIInChI=1S/C16H13ClFNO3/c17-13-7-4-8-14(18)12(13)10-22-15(20)9-19-16(21)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,19,21)
InChIKeyCRAWFBKUZTWIBT-UHFFFAOYSA-N
MW321.73 g/mol
LogP2.95
Rot. Bonds5

About (2-chloro-6-fluorophenyl)methyl 2-benzamidoacetate

(2-chloro-6-fluorophenyl)methyl 2-benzamidoacetate (PubChem CID 954138) has the molecular formula C16H13ClFNO3 and a molecular weight of 321.73 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)methyl 2-benzamidoacetate.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)methyl 2-benzamidoacetate
PubChem CID954138
Molecular FormulaC16H13ClFNO3
Molecular Weight321.73 g/mol
Exact Mass321.06
IUPAC Name(2-chloro-6-fluorophenyl)methyl 2-benzamidoacetate
SMILESO=C(CNC(=O)c1ccccc1)OCc1c(F)cccc1Cl
InChIInChI=1S/C16H13ClFNO3/c17-13-7-4-8-14(18)12(13)10-22-15(20)9-19-16(21)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,19,21)
InChIKeyCRAWFBKUZTWIBT-UHFFFAOYSA-N
XLogP2.95
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.73
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-6-fluorophenyl)methyl 2-[(4-methoxybenzoyl)amino]acetate
CID 8788560
(2,6-dichlorophenyl)methyl 2-[(3-fluorobenzoyl)amino]acetate
CID 8662771
benzyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]acetate
CID 7980436
N-[(2-chloro-6-fluorophenyl)methyl]benzamide
CID 68650924
(2-chloro-6-fluorophenyl)methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate
CID 42000511
benzyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate
CID 36949186
(2-chloro-6-fluorophenyl)methyl 4-benzamidobenzoate
CID 1293916
N'-[2-(2-chloro-6-fluorophenyl)acetyl]benzohydrazide
CID 4811592
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-benzamidoacetate
CID 2625515
(2-chloro-6-fluorophenyl)methyl 2-benzoylbenzoate
CID 1294400
benzyl 2-benzamidoacetate;ethane
CID 142836612
(2,6-dichlorophenyl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 8933305

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)methyl 2-benzamidoacetate?
The IUPAC name of (2-chloro-6-fluorophenyl)methyl 2-benzamidoacetate (CID 954138) is (2-chloro-6-fluorophenyl)methyl 2-benzamidoacetate.
What is the SMILES notation for (2-chloro-6-fluorophenyl)methyl 2-benzamidoacetate?
The canonical SMILES for (2-chloro-6-fluorophenyl)methyl 2-benzamidoacetate is O=C(CNC(=O)c1ccccc1)OCc1c(F)cccc1Cl.
What is the InChIKey of (2-chloro-6-fluorophenyl)methyl 2-benzamidoacetate?
The InChIKey is CRAWFBKUZTWIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO3/c17-13-7-4-8-14(18)12(13)10-22-15(20)9-19-16(21)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,19,21).
What are the key properties of (2-chloro-6-fluorophenyl)methyl 2-benzamidoacetate?
(2-chloro-6-fluorophenyl)methyl 2-benzamidoacetate has a molecular weight of 321.73 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)methyl 2-benzamidoacetate is sourced from PubChem (CID 954138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).