2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-(2-fluorophenyl)acetamide

C14H20FN3O — CID 62977435

IUPAC2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-(2-fluorophenyl)acetamide
SMILESCN(CCNCC(=O)Nc1ccccc1F)C1CC1
InChIInChI=1S/C14H20FN3O/c1-18(11-6-7-11)9-8-16-10-14(19)17-13-5-3-2-4-12(13)15/h2-5,11,16H,6-10H2,1H3,(H,17,19)
InChIKeyLMDOSJQTXWMIAM-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.45
Rot. Bonds7

About 2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-(2-fluorophenyl)acetamide

2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-(2-fluorophenyl)acetamide (PubChem CID 62977435) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-(2-fluorophenyl)acetamide
PubChem CID62977435
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-(2-fluorophenyl)acetamide
SMILESCN(CCNCC(=O)Nc1ccccc1F)C1CC1
InChIInChI=1S/C14H20FN3O/c1-18(11-6-7-11)9-8-16-10-14(19)17-13-5-3-2-4-12(13)15/h2-5,11,16H,6-10H2,1H3,(H,17,19)
InChIKeyLMDOSJQTXWMIAM-UHFFFAOYSA-N
XLogP1.45
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.45
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

2-[2-(dimethylamino)ethylamino]-N-(2-fluorophenyl)acetamide
CID 28586883
N-(2-chlorophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide
CID 55140260
2-[2-[di(propan-2-yl)amino]ethylamino]-N-(2-fluorophenyl)acetamide
CID 28568733
2-(2-cyclohexylethylamino)-N-(2-fluorophenyl)acetamide
CID 60921066
N-(2-fluorophenyl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]acetamide
CID 114515633
2-(cyclohexylmethylamino)-N-(2-fluorophenyl)acetamide
CID 43215446
N-(2-fluorophenyl)-2-(octylamino)acetamide
CID 78914339
N-(3-bromophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide
CID 62976482
2-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]-N-(2-fluorophenyl)acetamide
CID 103820304
2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]acetic acid
CID 43466135
3-[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]propanoic acid
CID 60840730
N'-cyclopentyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 55085570

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-(2-fluorophenyl)acetamide (CID 62977435) is 2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-(2-fluorophenyl)acetamide is CN(CCNCC(=O)Nc1ccccc1F)C1CC1.
What is the InChIKey of 2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-(2-fluorophenyl)acetamide?
The InChIKey is LMDOSJQTXWMIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-18(11-6-7-11)9-8-16-10-14(19)17-13-5-3-2-4-12(13)15/h2-5,11,16H,6-10H2,1H3,(H,17,19).
What are the key properties of 2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-(2-fluorophenyl)acetamide?
2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-(2-fluorophenyl)acetamide has a molecular weight of 265.33 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 62977435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).