2-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methylpentanamide

C14H20FN3O2 — CID 119758108

IUPAC2-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C14H20FN3O2/c1-3-7-14(2,16)13(20)17-9-12(19)18-11-6-4-5-10(15)8-11/h4-6,8H,3,7,9,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyAWNJGIPLLSSOQY-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.40
Rot. Bonds6

About 2-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methylpentanamide

2-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methylpentanamide (PubChem CID 119758108) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methylpentanamide
PubChem CID119758108
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name2-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C14H20FN3O2/c1-3-7-14(2,16)13(20)17-9-12(19)18-11-6-4-5-10(15)8-11/h4-6,8H,3,7,9,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyAWNJGIPLLSSOQY-UHFFFAOYSA-N
XLogP1.40
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]-2-methylpentanoic acid
CID 43619579
4-tert-butyl-N-[2-(3-fluoroanilino)-2-oxoethyl]benzamide
CID 772126
(2R)-2-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]propanamide
CID 119308751
N-ethyl-2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]acetamide
CID 43401714
2-amino-N-[3-[(3-fluorophenyl)methoxy]phenyl]-2-methylpentanamide;hydrochloride
CID 119739977
2-[[2-(3-fluoroanilino)-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79791972
2-amino-N-(3-anilino-3-oxopropyl)-2-methylpentanamide
CID 119785826
N-(3-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 772239
2-amino-N-(3-bromophenyl)-2-methylpentanamide
CID 60847337
2-[(4-ethylphenyl)carbamoylamino]-N-(3-fluorophenyl)acetamide
CID 772260
2-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-2-methylpentanamide;hydrochloride
CID 119683827
2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]-N-(3-fluorophenyl)acetamide;hydroiodide
CID 110965527

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methylpentanamide?
The IUPAC name of 2-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methylpentanamide (CID 119758108) is 2-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methylpentanamide?
The canonical SMILES for 2-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methylpentanamide is CCCC(C)(N)C(=O)NCC(=O)Nc1cccc(F)c1.
What is the InChIKey of 2-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methylpentanamide?
The InChIKey is AWNJGIPLLSSOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-3-7-14(2,16)13(20)17-9-12(19)18-11-6-4-5-10(15)8-11/h4-6,8H,3,7,9,16H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 2-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methylpentanamide?
2-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methylpentanamide has a molecular weight of 281.33 g/mol, XLogP of 1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methylpentanamide is sourced from PubChem (CID 119758108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).