N-[2-(cyclopropylamino)-2-oxoethyl]-3-fluorobenzamide

C12H13FN2O2 — CID 4788423

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]-3-fluorobenzamide
SMILESO=C(CNC(=O)c1cccc(F)c1)NC1CC1
InChIInChI=1S/C12H13FN2O2/c13-9-3-1-2-8(6-9)12(17)14-7-11(16)15-10-4-5-10/h1-3,6,10H,4-5,7H2,(H,14,17)(H,15,16)
InChIKeyUEICEZRRMOPMNE-UHFFFAOYSA-N
MW236.25 g/mol
LogP0.83
Rot. Bonds4

About N-[2-(cyclopropylamino)-2-oxoethyl]-3-fluorobenzamide

N-[2-(cyclopropylamino)-2-oxoethyl]-3-fluorobenzamide (PubChem CID 4788423) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]-3-fluorobenzamide
PubChem CID4788423
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]-3-fluorobenzamide
SMILESO=C(CNC(=O)c1cccc(F)c1)NC1CC1
InChIInChI=1S/C12H13FN2O2/c13-9-3-1-2-8(6-9)12(17)14-7-11(16)15-10-4-5-10/h1-3,6,10H,4-5,7H2,(H,14,17)(H,15,16)
InChIKeyUEICEZRRMOPMNE-UHFFFAOYSA-N
XLogP0.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-3-fluorobenzamide (CID 4788423) is N-[2-(cyclopropylamino)-2-oxoethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]-3-fluorobenzamide is O=C(CNC(=O)c1cccc(F)c1)NC1CC1.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]-3-fluorobenzamide?
The InChIKey is UEICEZRRMOPMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c13-9-3-1-2-8(6-9)12(17)14-7-11(16)15-10-4-5-10/h1-3,6,10H,4-5,7H2,(H,14,17)(H,15,16).
What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]-3-fluorobenzamide?
N-[2-(cyclopropylamino)-2-oxoethyl]-3-fluorobenzamide has a molecular weight of 236.25 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-2-oxoethyl]-3-fluorobenzamide is sourced from PubChem (CID 4788423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).