methyl 2-amino-3-[ethyl-(2-fluorophenyl)carbamoyl]oxybenzoate

C17H17FN2O4 — CID 154323114

IUPACmethyl 2-amino-3-[ethyl-(2-fluorophenyl)carbamoyl]oxybenzoate
SMILESCCN(C(=O)Oc1cccc(C(=O)OC)c1N)c1ccccc1F
InChIInChI=1S/C17H17FN2O4/c1-3-20(13-9-5-4-8-12(13)18)17(22)24-14-10-6-7-11(15(14)19)16(21)23-2/h4-10H,3,19H2,1-2H3
InChIKeyOXJAZZRRURFKDF-UHFFFAOYSA-N
MW332.33 g/mol
LogP3.22
Rot. Bonds4

About methyl 2-amino-3-[ethyl-(2-fluorophenyl)carbamoyl]oxybenzoate

methyl 2-amino-3-[ethyl-(2-fluorophenyl)carbamoyl]oxybenzoate (PubChem CID 154323114) has the molecular formula C17H17FN2O4 and a molecular weight of 332.33 g/mol. Its IUPAC name is methyl 2-amino-3-[ethyl-(2-fluorophenyl)carbamoyl]oxybenzoate.

Molecular Properties

Compound Namemethyl 2-amino-3-[ethyl-(2-fluorophenyl)carbamoyl]oxybenzoate
PubChem CID154323114
Molecular FormulaC17H17FN2O4
Molecular Weight332.33 g/mol
Exact Mass332.12
IUPAC Namemethyl 2-amino-3-[ethyl-(2-fluorophenyl)carbamoyl]oxybenzoate
SMILESCCN(C(=O)Oc1cccc(C(=O)OC)c1N)c1ccccc1F
InChIInChI=1S/C17H17FN2O4/c1-3-20(13-9-5-4-8-12(13)18)17(22)24-14-10-6-7-11(15(14)19)16(21)23-2/h4-10H,3,19H2,1-2H3
InChIKeyOXJAZZRRURFKDF-UHFFFAOYSA-N
XLogP3.22
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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methyl 2-amino-3-butoxybenzoate
CID 61039982
ethyl-(2-fluorophenyl)carbamic acid
CID 57376109
methyl 2-[(2,6-difluorophenyl)methyl-methylamino]benzoate
CID 114933153
(2-fluorophenyl) N-ethyl-N-methylcarbamate
CID 171662509
methyl 2-amino-3-propanoylbenzoate
CID 134648415
methyl 2-amino-3-(2-ethoxyethoxy)benzoate
CID 115546997
methyl 2-amino-3-[2-(dimethylamino)ethyl-propylamino]benzoate
CID 115545739
methyl 2-amino-3-(1,2,2-trifluoroethoxy)benzoate
CID 175477452
3-bromo-N-ethyl-2-fluoro-N-(2-fluorophenyl)benzamide
CID 106544595

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[ethyl-(2-fluorophenyl)carbamoyl]oxybenzoate?
The IUPAC name of methyl 2-amino-3-[ethyl-(2-fluorophenyl)carbamoyl]oxybenzoate (CID 154323114) is methyl 2-amino-3-[ethyl-(2-fluorophenyl)carbamoyl]oxybenzoate.
What is the SMILES notation for methyl 2-amino-3-[ethyl-(2-fluorophenyl)carbamoyl]oxybenzoate?
The canonical SMILES for methyl 2-amino-3-[ethyl-(2-fluorophenyl)carbamoyl]oxybenzoate is CCN(C(=O)Oc1cccc(C(=O)OC)c1N)c1ccccc1F.
What is the InChIKey of methyl 2-amino-3-[ethyl-(2-fluorophenyl)carbamoyl]oxybenzoate?
The InChIKey is OXJAZZRRURFKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O4/c1-3-20(13-9-5-4-8-12(13)18)17(22)24-14-10-6-7-11(15(14)19)16(21)23-2/h4-10H,3,19H2,1-2H3.
What are the key properties of methyl 2-amino-3-[ethyl-(2-fluorophenyl)carbamoyl]oxybenzoate?
methyl 2-amino-3-[ethyl-(2-fluorophenyl)carbamoyl]oxybenzoate has a molecular weight of 332.33 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-[ethyl-(2-fluorophenyl)carbamoyl]oxybenzoate is sourced from PubChem (CID 154323114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).