2-[4-[(cyclopropylamino)methyl]-2,6-difluoro-N-propan-2-ylanilino]acetamide

C15H21F2N3O — CID 63077147

IUPAC2-[4-[(cyclopropylamino)methyl]-2,6-difluoro-N-propan-2-ylanilino]acetamide
SMILESCC(C)N(CC(N)=O)c1c(F)cc(CNC2CC2)cc1F
InChIInChI=1S/C15H21F2N3O/c1-9(2)20(8-14(18)21)15-12(16)5-10(6-13(15)17)7-19-11-3-4-11/h5-6,9,11,19H,3-4,7-8H2,1-2H3,(H2,18,21)
InChIKeyBTZJJNVDOWALAS-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.92
Rot. Bonds7

About 2-[4-[(cyclopropylamino)methyl]-2,6-difluoro-N-propan-2-ylanilino]acetamide

2-[4-[(cyclopropylamino)methyl]-2,6-difluoro-N-propan-2-ylanilino]acetamide (PubChem CID 63077147) has the molecular formula C15H21F2N3O and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-[4-[(cyclopropylamino)methyl]-2,6-difluoro-N-propan-2-ylanilino]acetamide.

Molecular Properties

Compound Name2-[4-[(cyclopropylamino)methyl]-2,6-difluoro-N-propan-2-ylanilino]acetamide
PubChem CID63077147
Molecular FormulaC15H21F2N3O
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC Name2-[4-[(cyclopropylamino)methyl]-2,6-difluoro-N-propan-2-ylanilino]acetamide
SMILESCC(C)N(CC(N)=O)c1c(F)cc(CNC2CC2)cc1F
InChIInChI=1S/C15H21F2N3O/c1-9(2)20(8-14(18)21)15-12(16)5-10(6-13(15)17)7-19-11-3-4-11/h5-6,9,11,19H,3-4,7-8H2,1-2H3,(H2,18,21)
InChIKeyBTZJJNVDOWALAS-UHFFFAOYSA-N
XLogP1.92
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

4-[(cyclopropylamino)methyl]-2,6-difluoro-N,N-dimethylaniline
CID 63051609
4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-2,6-difluoro-N-methylaniline
CID 63052625
N-cyclopentyl-4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methylaniline
CID 63052431
2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-propan-2-ylanilino]ethanol
CID 54994819
N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-ethyl-2,6-difluoroaniline
CID 63051957
1-[4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methylanilino]-2-methylpropan-2-ol
CID 79390187
4-[(cyclopropylamino)methyl]-2,6-difluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 63051095
2-[4-[(cyclopropylamino)methyl]-2-methyl-N-(2-methylpropyl)anilino]acetamide
CID 62124929
3-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]-2-methylpropanamide
CID 107743597
N-cyclopropyl-2-[4-[(cyclopropylamino)methyl]-2,6-difluorophenoxy]acetamide
CID 79883438
N-[(3,5-difluoro-4-methoxyphenyl)methyl]cyclopropanamine
CID 79891880
2-[(2-amino-2-oxoethyl)-[5-[(cyclopropylamino)methyl]-2-pyridinyl]amino]acetamide
CID 80635727

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(cyclopropylamino)methyl]-2,6-difluoro-N-propan-2-ylanilino]acetamide?
The IUPAC name of 2-[4-[(cyclopropylamino)methyl]-2,6-difluoro-N-propan-2-ylanilino]acetamide (CID 63077147) is 2-[4-[(cyclopropylamino)methyl]-2,6-difluoro-N-propan-2-ylanilino]acetamide.
What is the SMILES notation for 2-[4-[(cyclopropylamino)methyl]-2,6-difluoro-N-propan-2-ylanilino]acetamide?
The canonical SMILES for 2-[4-[(cyclopropylamino)methyl]-2,6-difluoro-N-propan-2-ylanilino]acetamide is CC(C)N(CC(N)=O)c1c(F)cc(CNC2CC2)cc1F.
What is the InChIKey of 2-[4-[(cyclopropylamino)methyl]-2,6-difluoro-N-propan-2-ylanilino]acetamide?
The InChIKey is BTZJJNVDOWALAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O/c1-9(2)20(8-14(18)21)15-12(16)5-10(6-13(15)17)7-19-11-3-4-11/h5-6,9,11,19H,3-4,7-8H2,1-2H3,(H2,18,21).
What are the key properties of 2-[4-[(cyclopropylamino)methyl]-2,6-difluoro-N-propan-2-ylanilino]acetamide?
2-[4-[(cyclopropylamino)methyl]-2,6-difluoro-N-propan-2-ylanilino]acetamide has a molecular weight of 297.35 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(cyclopropylamino)methyl]-2,6-difluoro-N-propan-2-ylanilino]acetamide is sourced from PubChem (CID 63077147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).