2-(cyclopropylmethylamino)-2-(4-fluoro-3-methylphenyl)acetamide

C13H17FN2O — CID 62119932

IUPAC2-(cyclopropylmethylamino)-2-(4-fluoro-3-methylphenyl)acetamide
SMILESCc1cc(C(NCC2CC2)C(N)=O)ccc1F
InChIInChI=1S/C13H17FN2O/c1-8-6-10(4-5-11(8)14)12(13(15)17)16-7-9-2-3-9/h4-6,9,12,16H,2-3,7H2,1H3,(H2,15,17)
InChIKeyKTOOLRSDVBYGJX-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.66
Rot. Bonds5

About 2-(cyclopropylmethylamino)-2-(4-fluoro-3-methylphenyl)acetamide

2-(cyclopropylmethylamino)-2-(4-fluoro-3-methylphenyl)acetamide (PubChem CID 62119932) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-2-(4-fluoro-3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-2-(4-fluoro-3-methylphenyl)acetamide
PubChem CID62119932
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name2-(cyclopropylmethylamino)-2-(4-fluoro-3-methylphenyl)acetamide
SMILESCc1cc(C(NCC2CC2)C(N)=O)ccc1F
InChIInChI=1S/C13H17FN2O/c1-8-6-10(4-5-11(8)14)12(13(15)17)16-7-9-2-3-9/h4-6,9,12,16H,2-3,7H2,1H3,(H2,15,17)
InChIKeyKTOOLRSDVBYGJX-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-fluorophenyl)-2-(cyclopropylmethylamino)acetamide
CID 60995391
methyl 2-(cyclopropylmethylamino)-2-(3,4-difluorophenyl)acetate
CID 54894261
2-(cyclopropylmethylamino)-2-naphthalen-2-ylacetamide
CID 60995245
2-(3-bromo-4-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 54916019
methyl 2-(cyclopropylmethylamino)-2-(3-fluoro-4-hydroxyphenyl)acetate
CID 107690278
2-(cyclopropylmethylamino)-2-(4-cyclopropylphenyl)acetamide
CID 79983972
2-(cyclopropylmethylamino)-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 107104719
ethyl 2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetate
CID 62121338
2-(4-fluoro-3-methylphenyl)-2-(3-methoxyanilino)acetamide
CID 62122028
2-(2-fluoroanilino)-2-(4-fluoro-3-methylphenyl)acetamide
CID 62122201
2-(cyclopropylmethylamino)-2-(2,4-dichlorophenyl)acetamide
CID 60995676
2-(3-bromo-4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 54892069

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-2-(4-fluoro-3-methylphenyl)acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-2-(4-fluoro-3-methylphenyl)acetamide (CID 62119932) is 2-(cyclopropylmethylamino)-2-(4-fluoro-3-methylphenyl)acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-2-(4-fluoro-3-methylphenyl)acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-2-(4-fluoro-3-methylphenyl)acetamide is Cc1cc(C(NCC2CC2)C(N)=O)ccc1F.
What is the InChIKey of 2-(cyclopropylmethylamino)-2-(4-fluoro-3-methylphenyl)acetamide?
The InChIKey is KTOOLRSDVBYGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-8-6-10(4-5-11(8)14)12(13(15)17)16-7-9-2-3-9/h4-6,9,12,16H,2-3,7H2,1H3,(H2,15,17).
What are the key properties of 2-(cyclopropylmethylamino)-2-(4-fluoro-3-methylphenyl)acetamide?
2-(cyclopropylmethylamino)-2-(4-fluoro-3-methylphenyl)acetamide has a molecular weight of 236.29 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-2-(4-fluoro-3-methylphenyl)acetamide is sourced from PubChem (CID 62119932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).