N-[2-(cyclopropylcarbamoylamino)ethyl]-N-[(2-fluorophenyl)methyl]acetamide

C15H20FN3O2 — CID 113054591

IUPACN-[2-(cyclopropylcarbamoylamino)ethyl]-N-[(2-fluorophenyl)methyl]acetamide
SMILESCC(=O)N(CCNC(=O)NC1CC1)Cc1ccccc1F
InChIInChI=1S/C15H20FN3O2/c1-11(20)19(10-12-4-2-3-5-14(12)16)9-8-17-15(21)18-13-6-7-13/h2-5,13H,6-10H2,1H3,(H2,17,18,21)
InChIKeyZJTUMBMLWGYTDB-UHFFFAOYSA-N
MW293.34 g/mol
LogP1.64
Rot. Bonds6

About N-[2-(cyclopropylcarbamoylamino)ethyl]-N-[(2-fluorophenyl)methyl]acetamide

N-[2-(cyclopropylcarbamoylamino)ethyl]-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 113054591) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is N-[2-(cyclopropylcarbamoylamino)ethyl]-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclopropylcarbamoylamino)ethyl]-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID113054591
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC NameN-[2-(cyclopropylcarbamoylamino)ethyl]-N-[(2-fluorophenyl)methyl]acetamide
SMILESCC(=O)N(CCNC(=O)NC1CC1)Cc1ccccc1F
InChIInChI=1S/C15H20FN3O2/c1-11(20)19(10-12-4-2-3-5-14(12)16)9-8-17-15(21)18-13-6-7-13/h2-5,13H,6-10H2,1H3,(H2,17,18,21)
InChIKeyZJTUMBMLWGYTDB-UHFFFAOYSA-N
XLogP1.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylcarbamoylamino)ethyl]-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of N-[2-(cyclopropylcarbamoylamino)ethyl]-N-[(2-fluorophenyl)methyl]acetamide (CID 113054591) is N-[2-(cyclopropylcarbamoylamino)ethyl]-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for N-[2-(cyclopropylcarbamoylamino)ethyl]-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for N-[2-(cyclopropylcarbamoylamino)ethyl]-N-[(2-fluorophenyl)methyl]acetamide is CC(=O)N(CCNC(=O)NC1CC1)Cc1ccccc1F.
What is the InChIKey of N-[2-(cyclopropylcarbamoylamino)ethyl]-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is ZJTUMBMLWGYTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-11(20)19(10-12-4-2-3-5-14(12)16)9-8-17-15(21)18-13-6-7-13/h2-5,13H,6-10H2,1H3,(H2,17,18,21).
What are the key properties of N-[2-(cyclopropylcarbamoylamino)ethyl]-N-[(2-fluorophenyl)methyl]acetamide?
N-[2-(cyclopropylcarbamoylamino)ethyl]-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 293.34 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylcarbamoylamino)ethyl]-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 113054591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).