2-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]acetamide

C12H15FN2O — CID 60647225

IUPAC2-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CNC1CC1)NCc1ccc(F)cc1
InChIInChI=1S/C12H15FN2O/c13-10-3-1-9(2-4-10)7-15-12(16)8-14-11-5-6-11/h1-4,11,14H,5-8H2,(H,15,16)
InChIKeyHRDZMJNSLQOYQC-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.19
Rot. Bonds5

About 2-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]acetamide

2-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 60647225) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID60647225
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name2-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CNC1CC1)NCc1ccc(F)cc1
InChIInChI=1S/C12H15FN2O/c13-10-3-1-9(2-4-10)7-15-12(16)8-14-11-5-6-11/h1-4,11,14H,5-8H2,(H,15,16)
InChIKeyHRDZMJNSLQOYQC-UHFFFAOYSA-N
XLogP1.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 60703371
N-benzyl-2-[(4-hydroxycyclohexyl)amino]acetamide
CID 103601287
2-(cyclopropylamino)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106384770
N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997698
N-benzyl-2-(cyclopentylamino)acetamide
CID 43084459
N-[(4-chlorophenyl)methyl]-2-(cyclooctylamino)acetamide
CID 9265296
2-(cyclohexylamino)-N-[(4-methylphenyl)methyl]acetamide
CID 108993564
2-(cyclopropylamino)-N-[(6-methylnaphthalen-2-yl)methyl]acetamide
CID 115158482
2-(cyclopentylamino)-N-[(2,5-difluorophenyl)methyl]acetamide
CID 63793411
2-(cyclopentylamino)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106384695
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-fluorophenyl)acetamide
CID 47058155
2-(azetidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 64616743

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]acetamide (CID 60647225) is 2-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]acetamide is O=C(CNC1CC1)NCc1ccc(F)cc1.
What is the InChIKey of 2-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is HRDZMJNSLQOYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c13-10-3-1-9(2-4-10)7-15-12(16)8-14-11-5-6-11/h1-4,11,14H,5-8H2,(H,15,16).
What are the key properties of 2-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]acetamide?
2-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 222.26 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 60647225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).