2-[(1S)-2,2-difluorocyclopropyl]-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide

C15H26F2N2O — CID 125445510

IUPAC2-[(1S)-2,2-difluorocyclopropyl]-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide
SMILESCN(C)C1(CNC(=O)C[C@H]2CC2(F)F)CCCCCC1
InChIInChI=1S/C15H26F2N2O/c1-19(2)14(7-5-3-4-6-8-14)11-18-13(20)9-12-10-15(12,16)17/h12H,3-11H2,1-2H3,(H,18,20)/t12-/m0/s1
InChIKeyNARCAVPWEZWXBZ-LBPRGKRZSA-N
MW288.38 g/mol
LogP2.80
Rot. Bonds5

About 2-[(1S)-2,2-difluorocyclopropyl]-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide

2-[(1S)-2,2-difluorocyclopropyl]-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide (PubChem CID 125445510) has the molecular formula C15H26F2N2O and a molecular weight of 288.38 g/mol. Its IUPAC name is 2-[(1S)-2,2-difluorocyclopropyl]-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(1S)-2,2-difluorocyclopropyl]-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide
PubChem CID125445510
Molecular FormulaC15H26F2N2O
Molecular Weight288.38 g/mol
Exact Mass288.20
IUPAC Name2-[(1S)-2,2-difluorocyclopropyl]-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide
SMILESCN(C)C1(CNC(=O)C[C@H]2CC2(F)F)CCCCCC1
InChIInChI=1S/C15H26F2N2O/c1-19(2)14(7-5-3-4-6-8-14)11-18-13(20)9-12-10-15(12,16)17/h12H,3-11H2,1-2H3,(H,18,20)/t12-/m0/s1
InChIKeyNARCAVPWEZWXBZ-LBPRGKRZSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2-difluorocyclopropyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide
CID 122568972
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(ethylamino)propanamide
CID 62836666
N-[[1-(dimethylamino)cyclopentyl]methyl]-3-oxobutanamide
CID 83109875
N,N'-bis[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanediamide
CID 167805292
N-[[1-(dimethylamino)cyclopentyl]methyl]-4,4,4-trifluorobutanamide
CID 122564590
N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924304
2-(cyclopentylamino)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide
CID 60687122
3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]propanamide
CID 105415955
3-amino-N-[[1-(dimethylamino)cycloheptyl]methyl]butanamide
CID 119834021
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(propan-2-ylamino)propanamide
CID 61248624
2-[(1R)-2,2-difluorocyclopropyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]acetamide
CID 125448539
N-[[1-(dimethylamino)cyclohexyl]methyl]-2-morpholin-2-ylacetamide
CID 66428937

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-2,2-difluorocyclopropyl]-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide?
The IUPAC name of 2-[(1S)-2,2-difluorocyclopropyl]-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide (CID 125445510) is 2-[(1S)-2,2-difluorocyclopropyl]-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide.
What is the SMILES notation for 2-[(1S)-2,2-difluorocyclopropyl]-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide?
The canonical SMILES for 2-[(1S)-2,2-difluorocyclopropyl]-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide is CN(C)C1(CNC(=O)C[C@H]2CC2(F)F)CCCCCC1.
What is the InChIKey of 2-[(1S)-2,2-difluorocyclopropyl]-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide?
The InChIKey is NARCAVPWEZWXBZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H26F2N2O/c1-19(2)14(7-5-3-4-6-8-14)11-18-13(20)9-12-10-15(12,16)17/h12H,3-11H2,1-2H3,(H,18,20)/t12-/m0/s1.
What are the key properties of 2-[(1S)-2,2-difluorocyclopropyl]-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide?
2-[(1S)-2,2-difluorocyclopropyl]-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide has a molecular weight of 288.38 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-2,2-difluorocyclopropyl]-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide is sourced from PubChem (CID 125445510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).