ethane;[(2-fluorophenyl)methyl-methylamino]carbamic acid

C11H17FN2O2 — CID 143614470

IUPACethane;[(2-fluorophenyl)methyl-methylamino]carbamic acid
SMILESCC.CN(Cc1ccccc1F)NC(=O)O
InChIInChI=1S/C9H11FN2O2.C2H6/c1-12(11-9(13)14)6-7-4-2-3-5-8(7)10;1-2/h2-5,11H,6H2,1H3,(H,13,14);1-2H3
InChIKeyAYUQVGZAWFMMFS-UHFFFAOYSA-N
MW228.27 g/mol
LogP2.47
Rot. Bonds3

About ethane;[(2-fluorophenyl)methyl-methylamino]carbamic acid

ethane;[(2-fluorophenyl)methyl-methylamino]carbamic acid (PubChem CID 143614470) has the molecular formula C11H17FN2O2 and a molecular weight of 228.27 g/mol. Its IUPAC name is ethane;[(2-fluorophenyl)methyl-methylamino]carbamic acid.

Molecular Properties

Compound Nameethane;[(2-fluorophenyl)methyl-methylamino]carbamic acid
PubChem CID143614470
Molecular FormulaC11H17FN2O2
Molecular Weight228.27 g/mol
Exact Mass228.13
IUPAC Nameethane;[(2-fluorophenyl)methyl-methylamino]carbamic acid
SMILESCC.CN(Cc1ccccc1F)NC(=O)O
InChIInChI=1S/C9H11FN2O2.C2H6/c1-12(11-9(13)14)6-7-4-2-3-5-8(7)10;1-2/h2-5,11H,6H2,1H3,(H,13,14);1-2H3
InChIKeyAYUQVGZAWFMMFS-UHFFFAOYSA-N
XLogP2.47
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049
N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 60628244
N-[(2-fluorophenyl)methyl]-N-methylcarbamoyl chloride
CID 79886378
carbonic acid;1-ethyl-2-fluorobenzene
CID 174964119
3-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 60647903
(2S)-2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]propanoic acid
CID 78971015
3-[N-[(2-fluorophenyl)methyl]-2,6-dimethylanilino]propanoic acid
CID 82317455
2-[4-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]acetic acid
CID 105345750
4-[(2-fluorophenyl)methyl-methylamino]benzoic acid
CID 39359993
2-[carboxymethyl-[(2-fluorophenyl)methyl-methylcarbamoyl]amino]acetic acid
CID 63645119
3-[(2-fluorophenyl)methyl-methylamino]-3-methylbutanoic acid
CID 117042443
1-[(2-fluorophenyl)methyl]-1-methyl-3-propan-2-ylurea
CID 115575226

Frequently Asked Questions

What is the IUPAC name of ethane;[(2-fluorophenyl)methyl-methylamino]carbamic acid?
The IUPAC name of ethane;[(2-fluorophenyl)methyl-methylamino]carbamic acid (CID 143614470) is ethane;[(2-fluorophenyl)methyl-methylamino]carbamic acid.
What is the SMILES notation for ethane;[(2-fluorophenyl)methyl-methylamino]carbamic acid?
The canonical SMILES for ethane;[(2-fluorophenyl)methyl-methylamino]carbamic acid is CC.CN(Cc1ccccc1F)NC(=O)O.
What is the InChIKey of ethane;[(2-fluorophenyl)methyl-methylamino]carbamic acid?
The InChIKey is AYUQVGZAWFMMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2.C2H6/c1-12(11-9(13)14)6-7-4-2-3-5-8(7)10;1-2/h2-5,11H,6H2,1H3,(H,13,14);1-2H3.
What are the key properties of ethane;[(2-fluorophenyl)methyl-methylamino]carbamic acid?
ethane;[(2-fluorophenyl)methyl-methylamino]carbamic acid has a molecular weight of 228.27 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(2-fluorophenyl)methyl-methylamino]carbamic acid is sourced from PubChem (CID 143614470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).