2-[(3-fluoro-4-methylphenyl)methylcarbamoylamino]-N-propan-2-ylacetamide

C14H20FN3O2 — CID 17417817

IUPAC2-[(3-fluoro-4-methylphenyl)methylcarbamoylamino]-N-propan-2-ylacetamide
SMILESCc1ccc(CNC(=O)NCC(=O)NC(C)C)cc1F
InChIInChI=1S/C14H20FN3O2/c1-9(2)18-13(19)8-17-14(20)16-7-11-5-4-10(3)12(15)6-11/h4-6,9H,7-8H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyJJIVHTVYBNIAMH-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.46
Rot. Bonds5

About 2-[(3-fluoro-4-methylphenyl)methylcarbamoylamino]-N-propan-2-ylacetamide

2-[(3-fluoro-4-methylphenyl)methylcarbamoylamino]-N-propan-2-ylacetamide (PubChem CID 17417817) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-[(3-fluoro-4-methylphenyl)methylcarbamoylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(3-fluoro-4-methylphenyl)methylcarbamoylamino]-N-propan-2-ylacetamide
PubChem CID17417817
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name2-[(3-fluoro-4-methylphenyl)methylcarbamoylamino]-N-propan-2-ylacetamide
SMILESCc1ccc(CNC(=O)NCC(=O)NC(C)C)cc1F
InChIInChI=1S/C14H20FN3O2/c1-9(2)18-13(19)8-17-14(20)16-7-11-5-4-10(3)12(15)6-11/h4-6,9H,7-8H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyJJIVHTVYBNIAMH-UHFFFAOYSA-N
XLogP1.46
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 38949085
1-[(3-fluoro-4-methylphenyl)methyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111444613
1-[(3-fluoro-4-methylphenyl)methyl]-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 111424633
2-[(3-fluoro-4-methylphenyl)methylamino]-N-propan-2-ylpropanamide
CID 112683661
N-[(3-fluoro-4-methylphenyl)methyl]-2-(methylamino)acetamide
CID 43388450
1-[(3-fluoro-4-methylphenyl)methyl]-3-[(2S)-4-methylsulfonylbutan-2-yl]urea
CID 97227118
2-[[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid
CID 43467079
1-[(3-fluoro-4-methylphenyl)methyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 33431185
N-ethyl-2-[(4-fluoro-3-methylphenyl)methylcarbamoylamino]acetamide
CID 86993800
1-[(3-fluoro-4-methylphenyl)methyl]-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110019204
1-[(3-fluoro-4-methylphenyl)methyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110895473
2-[(3-fluoro-4-methylphenyl)methylamino]-N-propylpropanamide
CID 60702818

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-methylphenyl)methylcarbamoylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(3-fluoro-4-methylphenyl)methylcarbamoylamino]-N-propan-2-ylacetamide (CID 17417817) is 2-[(3-fluoro-4-methylphenyl)methylcarbamoylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(3-fluoro-4-methylphenyl)methylcarbamoylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(3-fluoro-4-methylphenyl)methylcarbamoylamino]-N-propan-2-ylacetamide is Cc1ccc(CNC(=O)NCC(=O)NC(C)C)cc1F.
What is the InChIKey of 2-[(3-fluoro-4-methylphenyl)methylcarbamoylamino]-N-propan-2-ylacetamide?
The InChIKey is JJIVHTVYBNIAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-9(2)18-13(19)8-17-14(20)16-7-11-5-4-10(3)12(15)6-11/h4-6,9H,7-8H2,1-3H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[(3-fluoro-4-methylphenyl)methylcarbamoylamino]-N-propan-2-ylacetamide?
2-[(3-fluoro-4-methylphenyl)methylcarbamoylamino]-N-propan-2-ylacetamide has a molecular weight of 281.33 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-methylphenyl)methylcarbamoylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 17417817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).