2-(4-fluoro-N-propan-2-ylanilino)-N-(methylcarbamoyl)acetamide

C13H18FN3O2 — CID 47091665

IUPAC2-(4-fluoro-N-propan-2-ylanilino)-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN(c1ccc(F)cc1)C(C)C
InChIInChI=1S/C13H18FN3O2/c1-9(2)17(8-12(18)16-13(19)15-3)11-6-4-10(14)5-7-11/h4-7,9H,8H2,1-3H3,(H2,15,16,18,19)
InChIKeyNVTFIMJTYGDQSG-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.50
Rot. Bonds4

About 2-(4-fluoro-N-propan-2-ylanilino)-N-(methylcarbamoyl)acetamide

2-(4-fluoro-N-propan-2-ylanilino)-N-(methylcarbamoyl)acetamide (PubChem CID 47091665) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-(4-fluoro-N-propan-2-ylanilino)-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-fluoro-N-propan-2-ylanilino)-N-(methylcarbamoyl)acetamide
PubChem CID47091665
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name2-(4-fluoro-N-propan-2-ylanilino)-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN(c1ccc(F)cc1)C(C)C
InChIInChI=1S/C13H18FN3O2/c1-9(2)17(8-12(18)16-13(19)15-3)11-6-4-10(14)5-7-11/h4-7,9H,8H2,1-3H3,(H2,15,16,18,19)
InChIKeyNVTFIMJTYGDQSG-UHFFFAOYSA-N
XLogP1.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-(4-fluoro-N-propan-2-ylanilino)acetamide
CID 51103962
2-(4-fluoro-N-methylanilino)-N-(1-methoxypropan-2-ylcarbamoyl)acetamide
CID 87014830
(2R)-2-[(4-fluorophenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 9251723
[2-(methylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2627763
2-(4-methyl-N-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]anilino)acetic acid
CID 60840590
N-(ethylcarbamoyl)-2-(N-ethyl-4-fluoroanilino)propanamide
CID 78818776
2-(4-fluoroanilino)-N-(methylcarbamoyl)propanamide
CID 43084432
2-[2-(4-fluorophenoxy)ethyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 17399068
2-[(4-fluorophenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 9251733
N-[[(2R)-butan-2-yl]carbamoyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 9251798
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-(methylcarbamoyl)acetamide
CID 8711015
N-[[(2S)-butan-2-yl]carbamoyl]-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 9251801

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-N-propan-2-ylanilino)-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-(4-fluoro-N-propan-2-ylanilino)-N-(methylcarbamoyl)acetamide (CID 47091665) is 2-(4-fluoro-N-propan-2-ylanilino)-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-fluoro-N-propan-2-ylanilino)-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-fluoro-N-propan-2-ylanilino)-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)CN(c1ccc(F)cc1)C(C)C.
What is the InChIKey of 2-(4-fluoro-N-propan-2-ylanilino)-N-(methylcarbamoyl)acetamide?
The InChIKey is NVTFIMJTYGDQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-9(2)17(8-12(18)16-13(19)15-3)11-6-4-10(14)5-7-11/h4-7,9H,8H2,1-3H3,(H2,15,16,18,19).
What are the key properties of 2-(4-fluoro-N-propan-2-ylanilino)-N-(methylcarbamoyl)acetamide?
2-(4-fluoro-N-propan-2-ylanilino)-N-(methylcarbamoyl)acetamide has a molecular weight of 267.30 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-N-propan-2-ylanilino)-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 47091665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).