N-(3-amino-2,2-dimethylpropyl)-2-(2-chloro-6-fluorophenyl)-N-methylcyclopropane-1-carboxamide

C16H22ClFN2O — CID 119656481

IUPACN-(3-amino-2,2-dimethylpropyl)-2-(2-chloro-6-fluorophenyl)-N-methylcyclopropane-1-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)C1CC1c1c(F)cccc1Cl
InChIInChI=1S/C16H22ClFN2O/c1-16(2,8-19)9-20(3)15(21)11-7-10(11)14-12(17)5-4-6-13(14)18/h4-6,10-11H,7-9,19H2,1-3H3
InChIKeyZGWGZHMJUYEONU-UHFFFAOYSA-N
MW312.82 g/mol
LogP3.03
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-2-(2-chloro-6-fluorophenyl)-N-methylcyclopropane-1-carboxamide

N-(3-amino-2,2-dimethylpropyl)-2-(2-chloro-6-fluorophenyl)-N-methylcyclopropane-1-carboxamide (PubChem CID 119656481) has the molecular formula C16H22ClFN2O and a molecular weight of 312.82 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-(2-chloro-6-fluorophenyl)-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-(2-chloro-6-fluorophenyl)-N-methylcyclopropane-1-carboxamide
PubChem CID119656481
Molecular FormulaC16H22ClFN2O
Molecular Weight312.82 g/mol
Exact Mass312.14
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-(2-chloro-6-fluorophenyl)-N-methylcyclopropane-1-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)C1CC1c1c(F)cccc1Cl
InChIInChI=1S/C16H22ClFN2O/c1-16(2,8-19)9-20(3)15(21)11-7-10(11)14-12(17)5-4-6-13(14)18/h4-6,10-11H,7-9,19H2,1-3H3
InChIKeyZGWGZHMJUYEONU-UHFFFAOYSA-N
XLogP3.03
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(2-chloro-6-fluorophenyl)-N-methylcyclopropane-1-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(2-chloro-6-fluorophenyl)-N-methylcyclopropane-1-carboxamide (CID 119656481) is N-(3-amino-2,2-dimethylpropyl)-2-(2-chloro-6-fluorophenyl)-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-(2-chloro-6-fluorophenyl)-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-(2-chloro-6-fluorophenyl)-N-methylcyclopropane-1-carboxamide is CN(CC(C)(C)CN)C(=O)C1CC1c1c(F)cccc1Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-(2-chloro-6-fluorophenyl)-N-methylcyclopropane-1-carboxamide?
The InChIKey is ZGWGZHMJUYEONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2O/c1-16(2,8-19)9-20(3)15(21)11-7-10(11)14-12(17)5-4-6-13(14)18/h4-6,10-11H,7-9,19H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-(2-chloro-6-fluorophenyl)-N-methylcyclopropane-1-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-2-(2-chloro-6-fluorophenyl)-N-methylcyclopropane-1-carboxamide has a molecular weight of 312.82 g/mol, XLogP of 3.03, 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-chloro-6-fluorophenyl)-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 119656481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).