N-(2-amino-2-cyclopropylethyl)-2-chloro-6-fluorobenzamide

C12H14ClFN2O — CID 115301115

IUPACN-(2-amino-2-cyclopropylethyl)-2-chloro-6-fluorobenzamide
SMILESNC(CNC(=O)c1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C12H14ClFN2O/c13-8-2-1-3-9(14)11(8)12(17)16-6-10(15)7-4-5-7/h1-3,7,10H,4-6,15H2,(H,16,17)
InChIKeyGGZAHIRIIDWATC-UHFFFAOYSA-N
MW256.71 g/mol
LogP1.95
Rot. Bonds4

About N-(2-amino-2-cyclopropylethyl)-2-chloro-6-fluorobenzamide

N-(2-amino-2-cyclopropylethyl)-2-chloro-6-fluorobenzamide (PubChem CID 115301115) has the molecular formula C12H14ClFN2O and a molecular weight of 256.71 g/mol. Its IUPAC name is N-(2-amino-2-cyclopropylethyl)-2-chloro-6-fluorobenzamide.

Molecular Properties

Compound NameN-(2-amino-2-cyclopropylethyl)-2-chloro-6-fluorobenzamide
PubChem CID115301115
Molecular FormulaC12H14ClFN2O
Molecular Weight256.71 g/mol
Exact Mass256.08
IUPAC NameN-(2-amino-2-cyclopropylethyl)-2-chloro-6-fluorobenzamide
SMILESNC(CNC(=O)c1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C12H14ClFN2O/c13-8-2-1-3-9(14)11(8)12(17)16-6-10(15)7-4-5-7/h1-3,7,10H,4-6,15H2,(H,16,17)
InChIKeyGGZAHIRIIDWATC-UHFFFAOYSA-N
XLogP1.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-cyclopropylethyl)-2,6-dichlorobenzamide
CID 113282152
N-(2-amino-2-cyclopropylethyl)-2,4,6-trifluorobenzamide
CID 65100401
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-chloro-6-fluorobenzamide
CID 119527099
2-chloro-N-[2-(cyclopropylamino)ethyl]-6-fluorobenzamide
CID 62664556
2-chloro-N-[(4-chlorocyclohexyl)methyl]-6-fluorobenzamide
CID 114147976
N-(2-amino-2-cyclopropylethyl)-5-bromo-2-chlorobenzamide
CID 113282173
2-chloro-N-(4-chloro-2-methylbutyl)-6-fluorobenzamide
CID 114306163
2-chloro-N-[(3-chlorocyclopentyl)methyl]-6-fluorobenzamide
CID 114147100
3-[(2-chloro-6-fluorobenzoyl)amino]-2-methoxypropanoic acid
CID 106107187
N-(2-amino-2-cyclopropylethyl)-2-chloro-6-fluorobenzenesulfonamide
CID 120713301
2-chloro-N-[2-[(2,2-dichloroacetyl)amino]ethyl]-6-fluorobenzamide
CID 108575168
N-(2-amino-2-cyclopropylethyl)-2-chlorofuran-3-carboxamide
CID 106688585

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-cyclopropylethyl)-2-chloro-6-fluorobenzamide?
The IUPAC name of N-(2-amino-2-cyclopropylethyl)-2-chloro-6-fluorobenzamide (CID 115301115) is N-(2-amino-2-cyclopropylethyl)-2-chloro-6-fluorobenzamide.
What is the SMILES notation for N-(2-amino-2-cyclopropylethyl)-2-chloro-6-fluorobenzamide?
The canonical SMILES for N-(2-amino-2-cyclopropylethyl)-2-chloro-6-fluorobenzamide is NC(CNC(=O)c1c(F)cccc1Cl)C1CC1.
What is the InChIKey of N-(2-amino-2-cyclopropylethyl)-2-chloro-6-fluorobenzamide?
The InChIKey is GGZAHIRIIDWATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O/c13-8-2-1-3-9(14)11(8)12(17)16-6-10(15)7-4-5-7/h1-3,7,10H,4-6,15H2,(H,16,17).
What are the key properties of N-(2-amino-2-cyclopropylethyl)-2-chloro-6-fluorobenzamide?
N-(2-amino-2-cyclopropylethyl)-2-chloro-6-fluorobenzamide has a molecular weight of 256.71 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-cyclopropylethyl)-2-chloro-6-fluorobenzamide is sourced from PubChem (CID 115301115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).