2-amino-N-[2-(4-fluoroanilino)-2-oxoethyl]pentanamide

C13H18FN3O2 — CID 119308727

IUPAC2-amino-N-[2-(4-fluoroanilino)-2-oxoethyl]pentanamide
SMILESCCCC(N)C(=O)NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C13H18FN3O2/c1-2-3-11(15)13(19)16-8-12(18)17-10-6-4-9(14)5-7-10/h4-7,11H,2-3,8,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyRCNZTHGKFSPEHA-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.01
Rot. Bonds6

About 2-amino-N-[2-(4-fluoroanilino)-2-oxoethyl]pentanamide

2-amino-N-[2-(4-fluoroanilino)-2-oxoethyl]pentanamide (PubChem CID 119308727) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-amino-N-[2-(4-fluoroanilino)-2-oxoethyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[2-(4-fluoroanilino)-2-oxoethyl]pentanamide
PubChem CID119308727
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name2-amino-N-[2-(4-fluoroanilino)-2-oxoethyl]pentanamide
SMILESCCCC(N)C(=O)NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C13H18FN3O2/c1-2-3-11(15)13(19)16-8-12(18)17-10-6-4-9(14)5-7-10/h4-7,11H,2-3,8,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyRCNZTHGKFSPEHA-UHFFFAOYSA-N
XLogP1.01
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride
CID 119314524
(2S)-2-amino-N-[4-(propanoylamino)phenyl]pentanamide
CID 107568598
(2R)-N-(4-acetamidophenyl)-2-aminopentanamide
CID 113263757
N-[2-(4-fluoroanilino)-2-oxoethyl]-3-methylbutanamide
CID 5205104
(2S)-2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]pentanamide
CID 107568581
N-(4-fluorophenyl)-2-(propylamino)acetamide
CID 28586343
2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]pentanamide
CID 119293600
(2R)-2-amino-N-(4-bromophenyl)pentanamide
CID 103793741
(2R)-2-amino-N-(4-chlorophenyl)pentanamide
CID 93255469
(2S)-2-amino-5-(4-fluoroanilino)-5-oxopentanoic acid
CID 101158514
2-[[(2S)-butan-2-yl]amino]-N-(4-fluorophenyl)acetamide
CID 28565900
4-amino-5-(4-fluoroanilino)-5-oxopentanoic acid
CID 64895789

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-fluoroanilino)-2-oxoethyl]pentanamide?
The IUPAC name of 2-amino-N-[2-(4-fluoroanilino)-2-oxoethyl]pentanamide (CID 119308727) is 2-amino-N-[2-(4-fluoroanilino)-2-oxoethyl]pentanamide.
What is the SMILES notation for 2-amino-N-[2-(4-fluoroanilino)-2-oxoethyl]pentanamide?
The canonical SMILES for 2-amino-N-[2-(4-fluoroanilino)-2-oxoethyl]pentanamide is CCCC(N)C(=O)NCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-amino-N-[2-(4-fluoroanilino)-2-oxoethyl]pentanamide?
The InChIKey is RCNZTHGKFSPEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-2-3-11(15)13(19)16-8-12(18)17-10-6-4-9(14)5-7-10/h4-7,11H,2-3,8,15H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 2-amino-N-[2-(4-fluoroanilino)-2-oxoethyl]pentanamide?
2-amino-N-[2-(4-fluoroanilino)-2-oxoethyl]pentanamide has a molecular weight of 267.30 g/mol, XLogP of 1.01, 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-(4-fluoroanilino)-2-oxoethyl]pentanamide is sourced from PubChem (CID 119308727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).