N-(cyclopropylcarbamoyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide

C14H18FN3O2 — CID 8909075

IUPACN-(cyclopropylcarbamoyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)NC(=O)NC1CC1)Cc1cccc(F)c1
InChIInChI=1S/C14H18FN3O2/c1-18(8-10-3-2-4-11(15)7-10)9-13(19)17-14(20)16-12-5-6-12/h2-4,7,12H,5-6,8-9H2,1H3,(H2,16,17,19,20)
InChIKeyAKMMPVUWGULLNT-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.25
Rot. Bonds5

About N-(cyclopropylcarbamoyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide

N-(cyclopropylcarbamoyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide (PubChem CID 8909075) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is N-(cyclopropylcarbamoyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(cyclopropylcarbamoyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
PubChem CID8909075
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC NameN-(cyclopropylcarbamoyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)NC(=O)NC1CC1)Cc1cccc(F)c1
InChIInChI=1S/C14H18FN3O2/c1-18(8-10-3-2-4-11(15)7-10)9-13(19)17-14(20)16-12-5-6-12/h2-4,7,12H,5-6,8-9H2,1H3,(H2,16,17,19,20)
InChIKeyAKMMPVUWGULLNT-UHFFFAOYSA-N
XLogP1.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylcarbamoyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(cyclopropylcarbamoyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide (CID 8909075) is N-(cyclopropylcarbamoyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(cyclopropylcarbamoyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(cyclopropylcarbamoyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide is CN(CC(=O)NC(=O)NC1CC1)Cc1cccc(F)c1.
What is the InChIKey of N-(cyclopropylcarbamoyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide?
The InChIKey is AKMMPVUWGULLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-18(8-10-3-2-4-11(15)7-10)9-13(19)17-14(20)16-12-5-6-12/h2-4,7,12H,5-6,8-9H2,1H3,(H2,16,17,19,20).
What are the key properties of N-(cyclopropylcarbamoyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide?
N-(cyclopropylcarbamoyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide has a molecular weight of 279.31 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylcarbamoyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 8909075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).