N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(methylcarbamoylamino)acetamide

C14H18FN3O2 — CID 75402782

IUPACN-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(methylcarbamoylamino)acetamide
SMILESCNC(=O)NCC(=O)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C14H18FN3O2/c1-16-14(20)17-8-13(19)18(11-6-7-11)9-10-4-2-3-5-12(10)15/h2-5,11H,6-9H2,1H3,(H2,16,17,20)
InChIKeyFAXYFIAPZQVFRE-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.25
Rot. Bonds5

About N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(methylcarbamoylamino)acetamide

N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(methylcarbamoylamino)acetamide (PubChem CID 75402782) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(methylcarbamoylamino)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(methylcarbamoylamino)acetamide
PubChem CID75402782
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC NameN-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(methylcarbamoylamino)acetamide
SMILESCNC(=O)NCC(=O)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C14H18FN3O2/c1-16-14(20)17-8-13(19)18(11-6-7-11)9-10-4-2-3-5-12(10)15/h2-5,11H,6-9H2,1H3,(H2,16,17,20)
InChIKeyFAXYFIAPZQVFRE-UHFFFAOYSA-N
XLogP1.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
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 ≤ 102

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Related Compounds

N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78915296
N-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-4-ethoxybenzamide
CID 31443397
N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 60666172
2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride
CID 119272337
4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 54869271
N-cyclopropyl-3-(cyclopropylamino)-N-[(2-fluorophenyl)methyl]propanamide
CID 60936622
2-[[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide
CID 8683236
4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride
CID 119272346
1-N,4-N-dicyclopropyl-1-N,4-N-bis[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 134013706
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-phenylsulfanylacetamide
CID 78810506
N-cyclopropyl-2-(4-ethoxyphenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 134013750
N-cyclopropyl-N-[(2-fluorophenyl)methyl]but-2-enamide
CID 78911608

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(methylcarbamoylamino)acetamide?
The IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(methylcarbamoylamino)acetamide (CID 75402782) is N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(methylcarbamoylamino)acetamide.
What is the SMILES notation for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(methylcarbamoylamino)acetamide?
The canonical SMILES for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(methylcarbamoylamino)acetamide is CNC(=O)NCC(=O)N(Cc1ccccc1F)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(methylcarbamoylamino)acetamide?
The InChIKey is FAXYFIAPZQVFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-16-14(20)17-8-13(19)18(11-6-7-11)9-10-4-2-3-5-12(10)15/h2-5,11H,6-9H2,1H3,(H2,16,17,20).
What are the key properties of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(methylcarbamoylamino)acetamide?
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(methylcarbamoylamino)acetamide has a molecular weight of 279.31 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(methylcarbamoylamino)acetamide is sourced from PubChem (CID 75402782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).