N-(3-amino-2,2-dimethylpropyl)-2-(2,5-difluorophenyl)-N-methylcyclopropane-1-carboxamide

C16H22F2N2O — CID 119654154

IUPACN-(3-amino-2,2-dimethylpropyl)-2-(2,5-difluorophenyl)-N-methylcyclopropane-1-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)C1CC1c1cc(F)ccc1F
InChIInChI=1S/C16H22F2N2O/c1-16(2,8-19)9-20(3)15(21)13-7-11(13)12-6-10(17)4-5-14(12)18/h4-6,11,13H,7-9,19H2,1-3H3
InChIKeyGYGGTTNTJDFDDF-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.51
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-2-(2,5-difluorophenyl)-N-methylcyclopropane-1-carboxamide

N-(3-amino-2,2-dimethylpropyl)-2-(2,5-difluorophenyl)-N-methylcyclopropane-1-carboxamide (PubChem CID 119654154) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-(2,5-difluorophenyl)-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-(2,5-difluorophenyl)-N-methylcyclopropane-1-carboxamide
PubChem CID119654154
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-(2,5-difluorophenyl)-N-methylcyclopropane-1-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)C1CC1c1cc(F)ccc1F
InChIInChI=1S/C16H22F2N2O/c1-16(2,8-19)9-20(3)15(21)13-7-11(13)12-6-10(17)4-5-14(12)18/h4-6,11,13H,7-9,19H2,1-3H3
InChIKeyGYGGTTNTJDFDDF-UHFFFAOYSA-N
XLogP2.51
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-difluorophenyl)-N,N-dimethylcyclopropane-1-carboxamide
CID 126784599
N-(3-amino-2,2-dimethylpropyl)-2-(2-chloro-6-fluorophenyl)-N-methylcyclopropane-1-carboxamide
CID 119656481
N-(3-amino-4-methylpentyl)-2-(2,5-difluorophenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride
CID 119658836
trans-(1S,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide
CID 129348570
N-(3-amino-2,2-dimethylpropyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclopropane-1-carboxamide;hydrochloride
CID 119656504
cis-(1S,2R)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 51888162
trans-(1S,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 51888164
2-[[2-(2,5-difluorophenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid
CID 119193256
N-(3-amino-2,2-dimethylpropyl)-4-fluoro-2-iodo-N-methylbenzamide
CID 113265912
N'-(2,4-difluorophenyl)-N',2,2-trimethylpropane-1,3-diamine
CID 115199918
N-(3-amino-2,2-dimethylpropyl)-2-(4-fluorophenyl)-N,2-dimethylpropanamide
CID 119654096
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-[(1S,2R)-2-(2,5-difluorophenyl)cyclopropyl]methanone
CID 125147004

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(2,5-difluorophenyl)-N-methylcyclopropane-1-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(2,5-difluorophenyl)-N-methylcyclopropane-1-carboxamide (CID 119654154) is N-(3-amino-2,2-dimethylpropyl)-2-(2,5-difluorophenyl)-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-(2,5-difluorophenyl)-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-(2,5-difluorophenyl)-N-methylcyclopropane-1-carboxamide is CN(CC(C)(C)CN)C(=O)C1CC1c1cc(F)ccc1F.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-(2,5-difluorophenyl)-N-methylcyclopropane-1-carboxamide?
The InChIKey is GYGGTTNTJDFDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O/c1-16(2,8-19)9-20(3)15(21)13-7-11(13)12-6-10(17)4-5-14(12)18/h4-6,11,13H,7-9,19H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-(2,5-difluorophenyl)-N-methylcyclopropane-1-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-2-(2,5-difluorophenyl)-N-methylcyclopropane-1-carboxamide has a molecular weight of 296.36 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2-(2,5-difluorophenyl)-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 119654154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).