2-(cyclopropylamino)-N-[2-(3,4-difluorophenyl)ethyl]acetamide

C13H16F2N2O — CID 115158528

IUPAC2-(cyclopropylamino)-N-[2-(3,4-difluorophenyl)ethyl]acetamide
SMILESO=C(CNC1CC1)NCCc1ccc(F)c(F)c1
InChIInChI=1S/C13H16F2N2O/c14-11-4-1-9(7-12(11)15)5-6-16-13(18)8-17-10-2-3-10/h1,4,7,10,17H,2-3,5-6,8H2,(H,16,18)
InChIKeyRMWYRLPYIFSWCJ-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.38
Rot. Bonds6

About 2-(cyclopropylamino)-N-[2-(3,4-difluorophenyl)ethyl]acetamide

2-(cyclopropylamino)-N-[2-(3,4-difluorophenyl)ethyl]acetamide (PubChem CID 115158528) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[2-(3,4-difluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[2-(3,4-difluorophenyl)ethyl]acetamide
PubChem CID115158528
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name2-(cyclopropylamino)-N-[2-(3,4-difluorophenyl)ethyl]acetamide
SMILESO=C(CNC1CC1)NCCc1ccc(F)c(F)c1
InChIInChI=1S/C13H16F2N2O/c14-11-4-1-9(7-12(11)15)5-6-16-13(18)8-17-10-2-3-10/h1,4,7,10,17H,2-3,5-6,8H2,(H,16,18)
InChIKeyRMWYRLPYIFSWCJ-UHFFFAOYSA-N
XLogP1.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylamino)-N-[2-[4-(hydroxymethyl)phenyl]ethyl]acetamide
CID 110012576
N-[2-(3-bromophenyl)ethyl]-2-(cyclopropylamino)acetamide
CID 115158540
2-(cyclopropylamino)-N-(3,4-difluorophenyl)acetamide
CID 60647201
N-[2-(3,4-difluorophenyl)ethyl]-3-sulfanylpropanamide
CID 115168012
N-[2-(3,4-difluorophenyl)ethyl]piperidine-4-carboxamide
CID 115160034
2-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]acetamide
CID 60647225
2-(cycloheptylamino)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 109000282
N-[2-(3,4-difluorophenyl)ethyl]-2-(2-fluorophenoxy)acetamide
CID 110788270
N-[4-(3,4-difluorophenyl)butyl]cyclopentanamine
CID 98016483
2-(cyclooctylamino)-N-(3,4-difluorophenyl)acetamide
CID 9265327
2-(cyclopropylamino)-N-(2-thiophen-2-ylethyl)acetamide
CID 60671964
5-bromo-N-[2-(3,4-difluorophenyl)ethyl]furan-2-carboxamide
CID 110795401

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[2-(3,4-difluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(cyclopropylamino)-N-[2-(3,4-difluorophenyl)ethyl]acetamide (CID 115158528) is 2-(cyclopropylamino)-N-[2-(3,4-difluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[2-(3,4-difluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[2-(3,4-difluorophenyl)ethyl]acetamide is O=C(CNC1CC1)NCCc1ccc(F)c(F)c1.
What is the InChIKey of 2-(cyclopropylamino)-N-[2-(3,4-difluorophenyl)ethyl]acetamide?
The InChIKey is RMWYRLPYIFSWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c14-11-4-1-9(7-12(11)15)5-6-16-13(18)8-17-10-2-3-10/h1,4,7,10,17H,2-3,5-6,8H2,(H,16,18).
What are the key properties of 2-(cyclopropylamino)-N-[2-(3,4-difluorophenyl)ethyl]acetamide?
2-(cyclopropylamino)-N-[2-(3,4-difluorophenyl)ethyl]acetamide has a molecular weight of 254.28 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[2-(3,4-difluorophenyl)ethyl]acetamide is sourced from PubChem (CID 115158528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).