N-(5-amino-2-fluorophenyl)-2-[cyclopropyl(3-methylbutyl)amino]acetamide

C16H24FN3O — CID 78973770

IUPACN-(5-amino-2-fluorophenyl)-2-[cyclopropyl(3-methylbutyl)amino]acetamide
SMILESCC(C)CCN(CC(=O)Nc1cc(N)ccc1F)C1CC1
InChIInChI=1S/C16H24FN3O/c1-11(2)7-8-20(13-4-5-13)10-16(21)19-15-9-12(18)3-6-14(15)17/h3,6,9,11,13H,4-5,7-8,10,18H2,1-2H3,(H,19,21)
InChIKeyMMRWISUWOPBLPO-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.86
Rot. Bonds7

About N-(5-amino-2-fluorophenyl)-2-[cyclopropyl(3-methylbutyl)amino]acetamide

N-(5-amino-2-fluorophenyl)-2-[cyclopropyl(3-methylbutyl)amino]acetamide (PubChem CID 78973770) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-[cyclopropyl(3-methylbutyl)amino]acetamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-[cyclopropyl(3-methylbutyl)amino]acetamide
PubChem CID78973770
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC NameN-(5-amino-2-fluorophenyl)-2-[cyclopropyl(3-methylbutyl)amino]acetamide
SMILESCC(C)CCN(CC(=O)Nc1cc(N)ccc1F)C1CC1
InChIInChI=1S/C16H24FN3O/c1-11(2)7-8-20(13-4-5-13)10-16(21)19-15-9-12(18)3-6-14(15)17/h3,6,9,11,13H,4-5,7-8,10,18H2,1-2H3,(H,19,21)
InChIKeyMMRWISUWOPBLPO-UHFFFAOYSA-N
XLogP2.86
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-fluorophenyl)-3-[benzyl(cyclopropyl)amino]propanamide
CID 113223373
2-[cyclobutyl(2-hydroxyethyl)amino]-N-(2,5-difluorophenyl)acetamide
CID 102676904
N-(5-amino-2-fluorophenyl)-3-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]propanamide
CID 129323175
N-(5-amino-2-fluorophenyl)-2-(dibutylamino)acetamide
CID 28982400
N-(5-amino-2-fluorophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]acetamide
CID 55257085
2-[[2-(5-amino-2-fluoroanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide
CID 62924177
N-(5-chloro-2-fluorophenyl)-2-[cyclopropyl(1-cyclopropylethyl)amino]acetamide
CID 46444172
N-(5-amino-2-fluorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]acetamide
CID 114948097
N-(5-amino-2-fluorophenyl)-2-propan-2-ylsulfinylacetamide
CID 61286626
N-(5-amino-2-fluorophenyl)-2-(cyclopentylmethylsulfonyl)acetamide
CID 63119729
N-(5-amino-2-fluorophenyl)-3-[ethyl(methyl)amino]propanamide
CID 43262986
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2,4-dichlorophenyl)acetamide
CID 78897433

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-[cyclopropyl(3-methylbutyl)amino]acetamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-[cyclopropyl(3-methylbutyl)amino]acetamide (CID 78973770) is N-(5-amino-2-fluorophenyl)-2-[cyclopropyl(3-methylbutyl)amino]acetamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-[cyclopropyl(3-methylbutyl)amino]acetamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-[cyclopropyl(3-methylbutyl)amino]acetamide is CC(C)CCN(CC(=O)Nc1cc(N)ccc1F)C1CC1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-[cyclopropyl(3-methylbutyl)amino]acetamide?
The InChIKey is MMRWISUWOPBLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-11(2)7-8-20(13-4-5-13)10-16(21)19-15-9-12(18)3-6-14(15)17/h3,6,9,11,13H,4-5,7-8,10,18H2,1-2H3,(H,19,21).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-[cyclopropyl(3-methylbutyl)amino]acetamide?
N-(5-amino-2-fluorophenyl)-2-[cyclopropyl(3-methylbutyl)amino]acetamide has a molecular weight of 293.39 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-2-[cyclopropyl(3-methylbutyl)amino]acetamide is sourced from PubChem (CID 78973770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).