N-(4-fluorophenyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide

C14H22FN3O — CID 62642513

IUPACN-(4-fluorophenyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide
SMILESCC(C)N(C)CCNCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H22FN3O/c1-11(2)18(3)9-8-16-10-14(19)17-13-6-4-12(15)5-7-13/h4-7,11,16H,8-10H2,1-3H3,(H,17,19)
InChIKeyHTIDDLRPEABQJH-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.69
Rot. Bonds7

About N-(4-fluorophenyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide

N-(4-fluorophenyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide (PubChem CID 62642513) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide
PubChem CID62642513
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC NameN-(4-fluorophenyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide
SMILESCC(C)N(C)CCNCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H22FN3O/c1-11(2)18(3)9-8-16-10-14(19)17-13-6-4-12(15)5-7-13/h4-7,11,16H,8-10H2,1-3H3,(H,17,19)
InChIKeyHTIDDLRPEABQJH-UHFFFAOYSA-N
XLogP1.69
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-2-(propylamino)acetamide
CID 28586343
N-(4-fluorophenyl)-2-(2-hydroxypropylamino)acetamide
CID 43389711
2-[2-(dimethylamino)ethylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 108994500
N-(4-fluorophenyl)-2-(pentylamino)acetamide
CID 28569105
6-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-4-methylhexanoic acid
CID 65289979
2-[2-(4-fluorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 109000448
N-(4-fluorophenyl)-2-(octylamino)acetamide
CID 78914389
N-(4-fluorophenyl)-2-[2-(2-methylphenyl)ethylamino]acetamide
CID 78915505
N-(4-fluorophenyl)-2-(2,3,3-trimethylbutylamino)acetamide
CID 83143170
2-(2,2-difluoroethylamino)-N-(4-fluorophenyl)acetamide
CID 115406808
N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(2-methoxyethylamino)-N-propan-2-ylacetamide
CID 119684397
N-(4-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109005234

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide (CID 62642513) is N-(4-fluorophenyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide is CC(C)N(C)CCNCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide?
The InChIKey is HTIDDLRPEABQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-11(2)18(3)9-8-16-10-14(19)17-13-6-4-12(15)5-7-13/h4-7,11,16H,8-10H2,1-3H3,(H,17,19).
What are the key properties of N-(4-fluorophenyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide?
N-(4-fluorophenyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide has a molecular weight of 267.35 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]acetamide is sourced from PubChem (CID 62642513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).