2-[(2-fluoro-3-methylbenzoyl)amino]ethyl carbamate

C11H13FN2O3 — CID 83210686

IUPAC2-[(2-fluoro-3-methylbenzoyl)amino]ethyl carbamate
SMILESCc1cccc(C(=O)NCCOC(N)=O)c1F
InChIInChI=1S/C11H13FN2O3/c1-7-3-2-4-8(9(7)12)10(15)14-5-6-17-11(13)16/h2-4H,5-6H2,1H3,(H2,13,16)(H,14,15)
InChIKeySZGNCKVMEMPNQF-UHFFFAOYSA-N
MW240.23 g/mol
LogP0.96
Rot. Bonds4

About 2-[(2-fluoro-3-methylbenzoyl)amino]ethyl carbamate

2-[(2-fluoro-3-methylbenzoyl)amino]ethyl carbamate (PubChem CID 83210686) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is 2-[(2-fluoro-3-methylbenzoyl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(2-fluoro-3-methylbenzoyl)amino]ethyl carbamate
PubChem CID83210686
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name2-[(2-fluoro-3-methylbenzoyl)amino]ethyl carbamate
SMILESCc1cccc(C(=O)NCCOC(N)=O)c1F
InChIInChI=1S/C11H13FN2O3/c1-7-3-2-4-8(9(7)12)10(15)14-5-6-17-11(13)16/h2-4H,5-6H2,1H3,(H2,13,16)(H,14,15)
InChIKeySZGNCKVMEMPNQF-UHFFFAOYSA-N
XLogP0.96
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-(5-methoxypentyl)-3-methylbenzamide
CID 103764860
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-fluoro-3-methylbenzamide
CID 81477532
2-fluoro-N-(6-hydroxyhexyl)-3-methylbenzamide
CID 113351832
N-decyl-2-fluoro-3-methylbenzamide
CID 81479719
2-[(2-hydroxy-3-methoxybenzoyl)amino]ethyl carbamate
CID 83203383
2-[(2-fluoro-4-methylbenzoyl)amino]ethyl carbamate
CID 83210328
N-(5-bromopentyl)-2-fluoro-3-methylbenzamide
CID 107322114
N-(3-cyclohexyloxypropyl)-2-fluoro-3-methylbenzamide
CID 80710683
2-fluoro-3-methyl-N-prop-2-ynylbenzamide
CID 80717864
2,3-difluoro-N-(3-methoxypropyl)benzamide
CID 62650844
2,3-difluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 62865819
2-[(3-amino-2,6-difluorobenzoyl)amino]ethyl carbamate
CID 83202374

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-3-methylbenzoyl)amino]ethyl carbamate?
The IUPAC name of 2-[(2-fluoro-3-methylbenzoyl)amino]ethyl carbamate (CID 83210686) is 2-[(2-fluoro-3-methylbenzoyl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(2-fluoro-3-methylbenzoyl)amino]ethyl carbamate?
The canonical SMILES for 2-[(2-fluoro-3-methylbenzoyl)amino]ethyl carbamate is Cc1cccc(C(=O)NCCOC(N)=O)c1F.
What is the InChIKey of 2-[(2-fluoro-3-methylbenzoyl)amino]ethyl carbamate?
The InChIKey is SZGNCKVMEMPNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c1-7-3-2-4-8(9(7)12)10(15)14-5-6-17-11(13)16/h2-4H,5-6H2,1H3,(H2,13,16)(H,14,15).
What are the key properties of 2-[(2-fluoro-3-methylbenzoyl)amino]ethyl carbamate?
2-[(2-fluoro-3-methylbenzoyl)amino]ethyl carbamate has a molecular weight of 240.23 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-3-methylbenzoyl)amino]ethyl carbamate is sourced from PubChem (CID 83210686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).