N-(2-amino-2-cyclopropylethyl)-2-(3-fluorophenyl)acetamide

C13H17FN2O — CID 63767831

IUPACN-(2-amino-2-cyclopropylethyl)-2-(3-fluorophenyl)acetamide
SMILESNC(CNC(=O)Cc1cccc(F)c1)C1CC1
InChIInChI=1S/C13H17FN2O/c14-11-3-1-2-9(6-11)7-13(17)16-8-12(15)10-4-5-10/h1-3,6,10,12H,4-5,7-8,15H2,(H,16,17)
InChIKeyWTIWMBVEHURAFQ-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.22
Rot. Bonds5

About N-(2-amino-2-cyclopropylethyl)-2-(3-fluorophenyl)acetamide

N-(2-amino-2-cyclopropylethyl)-2-(3-fluorophenyl)acetamide (PubChem CID 63767831) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is N-(2-amino-2-cyclopropylethyl)-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-amino-2-cyclopropylethyl)-2-(3-fluorophenyl)acetamide
PubChem CID63767831
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC NameN-(2-amino-2-cyclopropylethyl)-2-(3-fluorophenyl)acetamide
SMILESNC(CNC(=O)Cc1cccc(F)c1)C1CC1
InChIInChI=1S/C13H17FN2O/c14-11-3-1-2-9(6-11)7-13(17)16-8-12(15)10-4-5-10/h1-3,6,10,12H,4-5,7-8,15H2,(H,16,17)
InChIKeyWTIWMBVEHURAFQ-UHFFFAOYSA-N
XLogP1.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-[[2-(3-fluorophenyl)acetyl]amino]-2-iodopropanoate
CID 103493227
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CID 60615360
N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 119590413
N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-2-(3-fluorophenyl)acetamide
CID 141220125
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CID 65100401
2-(3-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide
CID 110736416
N-(2-chloro-4,4-dimethylpentyl)-2-(3-fluorophenyl)acetamide
CID 107157057
trans-(1R,2S)-2-[[[2-(3-fluorophenyl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 154807680
N-[2-(2-bromoethyl)pentyl]-2-(3-fluorophenyl)acetamide
CID 106118115
N-(3-aminopropyl)-2-(3-fluorophenyl)acetamide
CID 24690236
N-(4-aminocyclohexyl)-2-(3-fluorophenyl)acetamide;hydrochloride
CID 119260253
2-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 62540928

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-cyclopropylethyl)-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-(2-amino-2-cyclopropylethyl)-2-(3-fluorophenyl)acetamide (CID 63767831) is N-(2-amino-2-cyclopropylethyl)-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-(2-amino-2-cyclopropylethyl)-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-(2-amino-2-cyclopropylethyl)-2-(3-fluorophenyl)acetamide is NC(CNC(=O)Cc1cccc(F)c1)C1CC1.
What is the InChIKey of N-(2-amino-2-cyclopropylethyl)-2-(3-fluorophenyl)acetamide?
The InChIKey is WTIWMBVEHURAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c14-11-3-1-2-9(6-11)7-13(17)16-8-12(15)10-4-5-10/h1-3,6,10,12H,4-5,7-8,15H2,(H,16,17).
What are the key properties of N-(2-amino-2-cyclopropylethyl)-2-(3-fluorophenyl)acetamide?
N-(2-amino-2-cyclopropylethyl)-2-(3-fluorophenyl)acetamide has a molecular weight of 236.29 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-cyclopropylethyl)-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 63767831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).