N-[2-(3-aminopropanoylamino)-4-fluorophenyl]-2,2-dimethylpropanamide

C14H20FN3O2 — CID 82034298

IUPACN-[2-(3-aminopropanoylamino)-4-fluorophenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(F)cc1NC(=O)CCN
InChIInChI=1S/C14H20FN3O2/c1-14(2,3)13(20)18-10-5-4-9(15)8-11(10)17-12(19)6-7-16/h4-5,8H,6-7,16H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyXHEABUGIZYACPO-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.10
Rot. Bonds4

About N-[2-(3-aminopropanoylamino)-4-fluorophenyl]-2,2-dimethylpropanamide

N-[2-(3-aminopropanoylamino)-4-fluorophenyl]-2,2-dimethylpropanamide (PubChem CID 82034298) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is N-[2-(3-aminopropanoylamino)-4-fluorophenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(3-aminopropanoylamino)-4-fluorophenyl]-2,2-dimethylpropanamide
PubChem CID82034298
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC NameN-[2-(3-aminopropanoylamino)-4-fluorophenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(F)cc1NC(=O)CCN
InChIInChI=1S/C14H20FN3O2/c1-14(2,3)13(20)18-10-5-4-9(15)8-11(10)17-12(19)6-7-16/h4-5,8H,6-7,16H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyXHEABUGIZYACPO-UHFFFAOYSA-N
XLogP2.10
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-aminopropanoylamino)-4-fluorophenyl]cyclopropanecarboxamide
CID 82034301
3-amino-N-[5-fluoro-2-[(2-phenylacetyl)amino]phenyl]propanamide
CID 92944450
N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-2,2,2-trifluoroacetamide
CID 39184054
2-(3-aminopropanoylamino)-4-fluorobenzoic acid
CID 61157930
N-[2-(3-aminopropanoylamino)-4-fluorophenyl]oxolane-2-carboxamide
CID 82034303
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2,2-dimethylpropanamide
CID 60814903
N-[3-(3-aminopropanoylamino)-4-ethylphenyl]-2,2-dimethylpropanamide
CID 82034526
4-amino-N-[4-fluoro-2-(propan-2-ylamino)phenyl]butanamide
CID 119873547
4-amino-N-[5-fluoro-2-(phenylcarbamoylamino)phenyl]butanamide
CID 39192900
N-[4-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 59677530
N-[2,4-bis(2,2-dimethylpropanoylamino)phenyl]-4-methylpentanamide
CID 154392787
7-amino-N-[4-fluoro-2-(propan-2-ylamino)phenyl]heptanamide
CID 119873503

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminopropanoylamino)-4-fluorophenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(3-aminopropanoylamino)-4-fluorophenyl]-2,2-dimethylpropanamide (CID 82034298) is N-[2-(3-aminopropanoylamino)-4-fluorophenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(3-aminopropanoylamino)-4-fluorophenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(3-aminopropanoylamino)-4-fluorophenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(F)cc1NC(=O)CCN.
What is the InChIKey of N-[2-(3-aminopropanoylamino)-4-fluorophenyl]-2,2-dimethylpropanamide?
The InChIKey is XHEABUGIZYACPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-14(2,3)13(20)18-10-5-4-9(15)8-11(10)17-12(19)6-7-16/h4-5,8H,6-7,16H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-(3-aminopropanoylamino)-4-fluorophenyl]-2,2-dimethylpropanamide?
N-[2-(3-aminopropanoylamino)-4-fluorophenyl]-2,2-dimethylpropanamide has a molecular weight of 281.33 g/mol, XLogP of 2.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminopropanoylamino)-4-fluorophenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 82034298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).