2-[(2-fluoro-4-methylbenzoyl)amino]ethyl carbamate

C11H13FN2O3 — CID 83210328

IUPAC2-[(2-fluoro-4-methylbenzoyl)amino]ethyl carbamate
SMILESCc1ccc(C(=O)NCCOC(N)=O)c(F)c1
InChIInChI=1S/C11H13FN2O3/c1-7-2-3-8(9(12)6-7)10(15)14-4-5-17-11(13)16/h2-3,6H,4-5H2,1H3,(H2,13,16)(H,14,15)
InChIKeyAMXCSGRJYRWYGD-UHFFFAOYSA-N
MW240.23 g/mol
LogP0.96
Rot. Bonds4

About 2-[(2-fluoro-4-methylbenzoyl)amino]ethyl carbamate

2-[(2-fluoro-4-methylbenzoyl)amino]ethyl carbamate (PubChem CID 83210328) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is 2-[(2-fluoro-4-methylbenzoyl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(2-fluoro-4-methylbenzoyl)amino]ethyl carbamate
PubChem CID83210328
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name2-[(2-fluoro-4-methylbenzoyl)amino]ethyl carbamate
SMILESCc1ccc(C(=O)NCCOC(N)=O)c(F)c1
InChIInChI=1S/C11H13FN2O3/c1-7-2-3-8(9(12)6-7)10(15)14-4-5-17-11(13)16/h2-3,6H,4-5H2,1H3,(H2,13,16)(H,14,15)
InChIKeyAMXCSGRJYRWYGD-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-[(4-bromo-2-fluorobenzoyl)amino]ethyl carbamate
CID 83204466
2-[[5-methyl-2-(methylamino)benzoyl]amino]ethyl carbamate
CID 83215678
2-fluoro-4-methyl-N-(3-propoxypropyl)benzamide
CID 82941071
2-fluoro-4-methyl-N-pentylbenzamide
CID 79770349
2-fluoro-N-(3-hydroxy-4-methoxybutyl)-4-methylbenzamide
CID 103876983
2-fluoro-4-methyl-N-(2-methylsulfinylethyl)benzamide
CID 115678998
2-[(2-fluoro-3-methylbenzoyl)amino]ethyl carbamate
CID 83210686
2-fluoro-N-(5-iodopentyl)-4-methylbenzamide
CID 107322226
N-(5-chloropentyl)-2-fluoro-4-methylbenzamide
CID 107320953
2-fluoro-4-methyl-N-(5-methylhexyl)benzamide
CID 79790982
4-[(2-fluoro-4-methylbenzoyl)amino]-2,2-dimethylbutanoic acid
CID 114285479
4-chloro-N-[2-(2,4-dimethylphenoxy)ethyl]-2-fluorobenzamide
CID 8531985

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-4-methylbenzoyl)amino]ethyl carbamate?
The IUPAC name of 2-[(2-fluoro-4-methylbenzoyl)amino]ethyl carbamate (CID 83210328) is 2-[(2-fluoro-4-methylbenzoyl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(2-fluoro-4-methylbenzoyl)amino]ethyl carbamate?
The canonical SMILES for 2-[(2-fluoro-4-methylbenzoyl)amino]ethyl carbamate is Cc1ccc(C(=O)NCCOC(N)=O)c(F)c1.
What is the InChIKey of 2-[(2-fluoro-4-methylbenzoyl)amino]ethyl carbamate?
The InChIKey is AMXCSGRJYRWYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c1-7-2-3-8(9(12)6-7)10(15)14-4-5-17-11(13)16/h2-3,6H,4-5H2,1H3,(H2,13,16)(H,14,15).
What are the key properties of 2-[(2-fluoro-4-methylbenzoyl)amino]ethyl carbamate?
2-[(2-fluoro-4-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-4-methylbenzoyl)amino]ethyl carbamate is sourced from PubChem (CID 83210328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).