[(2R)-oxolan-2-yl]methyl 2-[(2-fluorobenzoyl)amino]-3-methylbenzoate

C20H20FNO4 — CID 97007291

IUPAC[(2R)-oxolan-2-yl]methyl 2-[(2-fluorobenzoyl)amino]-3-methylbenzoate
SMILESCc1cccc(C(=O)OC[C@H]2CCCO2)c1NC(=O)c1ccccc1F
InChIInChI=1S/C20H20FNO4/c1-13-6-4-9-16(20(24)26-12-14-7-5-11-25-14)18(13)22-19(23)15-8-2-3-10-17(15)21/h2-4,6,8-10,14H,5,7,11-12H2,1H3,(H,22,23)/t14-/m1/s1
InChIKeyVYZFSCNIAMSYKF-CQSZACIVSA-N
MW357.38 g/mol
LogP3.72
Rot. Bonds5

About [(2R)-oxolan-2-yl]methyl 2-[(2-fluorobenzoyl)amino]-3-methylbenzoate

[(2R)-oxolan-2-yl]methyl 2-[(2-fluorobenzoyl)amino]-3-methylbenzoate (PubChem CID 97007291) has the molecular formula C20H20FNO4 and a molecular weight of 357.38 g/mol. Its IUPAC name is [(2R)-oxolan-2-yl]methyl 2-[(2-fluorobenzoyl)amino]-3-methylbenzoate.

Molecular Properties

Compound Name[(2R)-oxolan-2-yl]methyl 2-[(2-fluorobenzoyl)amino]-3-methylbenzoate
PubChem CID97007291
Molecular FormulaC20H20FNO4
Molecular Weight357.38 g/mol
Exact Mass357.14
IUPAC Name[(2R)-oxolan-2-yl]methyl 2-[(2-fluorobenzoyl)amino]-3-methylbenzoate
SMILESCc1cccc(C(=O)OC[C@H]2CCCO2)c1NC(=O)c1ccccc1F
InChIInChI=1S/C20H20FNO4/c1-13-6-4-9-16(20(24)26-12-14-7-5-11-25-14)18(13)22-19(23)15-8-2-3-10-17(15)21/h2-4,6,8-10,14H,5,7,11-12H2,1H3,(H,22,23)/t14-/m1/s1
InChIKeyVYZFSCNIAMSYKF-CQSZACIVSA-N
XLogP3.72
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

oxolan-2-ylmethyl 2-[(2-fluorobenzoyl)amino]-3-methylbenzoate
CID 71887688
oxolan-2-ylmethyl 2-ethoxy-3-fluorobenzoate
CID 71988295
2-fluoro-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17141893
oxolan-2-ylmethyl 5-acetamido-2-fluorobenzoate
CID 60568275
[4-[[(2R)-oxolan-2-yl]methoxycarbonyl]phenyl] 2-fluorobenzoate
CID 26256561
N-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 4097270
2-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909344
[(2R)-oxolan-2-yl]methyl 2-benzamidobenzoate
CID 40820524
2-O-(oxolan-2-ylmethyl) 1-O-propyl benzene-1,2-dicarboxylate
CID 6421085
[(2R)-oxolan-2-yl]methyl 2-bromobenzoate
CID 2375210
oxolan-2-ylmethyl 2-fluoro-3-(trifluoromethyl)benzoate
CID 79884542
oxolan-2-ylmethyl 2-fluoro-5-sulfanylbenzoate
CID 107018460

Frequently Asked Questions

What is the IUPAC name of [(2R)-oxolan-2-yl]methyl 2-[(2-fluorobenzoyl)amino]-3-methylbenzoate?
The IUPAC name of [(2R)-oxolan-2-yl]methyl 2-[(2-fluorobenzoyl)amino]-3-methylbenzoate (CID 97007291) is [(2R)-oxolan-2-yl]methyl 2-[(2-fluorobenzoyl)amino]-3-methylbenzoate.
What is the SMILES notation for [(2R)-oxolan-2-yl]methyl 2-[(2-fluorobenzoyl)amino]-3-methylbenzoate?
The canonical SMILES for [(2R)-oxolan-2-yl]methyl 2-[(2-fluorobenzoyl)amino]-3-methylbenzoate is Cc1cccc(C(=O)OC[C@H]2CCCO2)c1NC(=O)c1ccccc1F.
What is the InChIKey of [(2R)-oxolan-2-yl]methyl 2-[(2-fluorobenzoyl)amino]-3-methylbenzoate?
The InChIKey is VYZFSCNIAMSYKF-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20FNO4/c1-13-6-4-9-16(20(24)26-12-14-7-5-11-25-14)18(13)22-19(23)15-8-2-3-10-17(15)21/h2-4,6,8-10,14H,5,7,11-12H2,1H3,(H,22,23)/t14-/m1/s1.
What are the key properties of [(2R)-oxolan-2-yl]methyl 2-[(2-fluorobenzoyl)amino]-3-methylbenzoate?
[(2R)-oxolan-2-yl]methyl 2-[(2-fluorobenzoyl)amino]-3-methylbenzoate has a molecular weight of 357.38 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-oxolan-2-yl]methyl 2-[(2-fluorobenzoyl)amino]-3-methylbenzoate is sourced from PubChem (CID 97007291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).