2-chloro-N-[2-(cyclopropylamino)ethyl]-6-fluorobenzamide

C12H14ClFN2O — CID 62664556

IUPAC2-chloro-N-[2-(cyclopropylamino)ethyl]-6-fluorobenzamide
SMILESO=C(NCCNC1CC1)c1c(F)cccc1Cl
InChIInChI=1S/C12H14ClFN2O/c13-9-2-1-3-10(14)11(9)12(17)16-7-6-15-8-4-5-8/h1-3,8,15H,4-7H2,(H,16,17)
InChIKeyDWQARPIHLHXBHO-UHFFFAOYSA-N
MW256.71 g/mol
LogP1.96
Rot. Bonds5

About 2-chloro-N-[2-(cyclopropylamino)ethyl]-6-fluorobenzamide

2-chloro-N-[2-(cyclopropylamino)ethyl]-6-fluorobenzamide (PubChem CID 62664556) has the molecular formula C12H14ClFN2O and a molecular weight of 256.71 g/mol. Its IUPAC name is 2-chloro-N-[2-(cyclopropylamino)ethyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(cyclopropylamino)ethyl]-6-fluorobenzamide
PubChem CID62664556
Molecular FormulaC12H14ClFN2O
Molecular Weight256.71 g/mol
Exact Mass256.08
IUPAC Name2-chloro-N-[2-(cyclopropylamino)ethyl]-6-fluorobenzamide
SMILESO=C(NCCNC1CC1)c1c(F)cccc1Cl
InChIInChI=1S/C12H14ClFN2O/c13-9-2-1-3-10(14)11(9)12(17)16-7-6-15-8-4-5-8/h1-3,8,15H,4-7H2,(H,16,17)
InChIKeyDWQARPIHLHXBHO-UHFFFAOYSA-N
XLogP1.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503921
2-chloro-N-[(4-chlorocyclohexyl)methyl]-6-fluorobenzamide
CID 114147976
2-chloro-N-[2-[(2,2-dichloroacetyl)amino]ethyl]-6-fluorobenzamide
CID 108575168
N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 108538805
N-[2-(cycloheptylamino)ethyl]-2-fluoro-6-methoxybenzamide
CID 119619869
2-chloro-6-fluoro-N-(2-methoxyethyl)benzamide
CID 17217215
2-chloro-6-fluoro-N-(oxan-4-yl)benzamide
CID 110726834
2-chloro-N-[(3-chlorocyclopentyl)methyl]-6-fluorobenzamide
CID 114147100
N-(2-amino-2-cyclopropylethyl)-2-chloro-6-fluorobenzamide
CID 115301115
2-chloro-6-fluoro-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 110731260
2-chloro-N-[2-(3,3-dimethylbutanoylamino)ethyl]-6-fluorobenzamide
CID 108575170
2-chloro-6-fluoro-N-[2-[4-[(2-fluorobenzoyl)amino]piperidin-1-yl]-2-oxoethyl]benzamide
CID 86898999

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(cyclopropylamino)ethyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[2-(cyclopropylamino)ethyl]-6-fluorobenzamide (CID 62664556) is 2-chloro-N-[2-(cyclopropylamino)ethyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[2-(cyclopropylamino)ethyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[2-(cyclopropylamino)ethyl]-6-fluorobenzamide is O=C(NCCNC1CC1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(cyclopropylamino)ethyl]-6-fluorobenzamide?
The InChIKey is DWQARPIHLHXBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O/c13-9-2-1-3-10(14)11(9)12(17)16-7-6-15-8-4-5-8/h1-3,8,15H,4-7H2,(H,16,17).
What are the key properties of 2-chloro-N-[2-(cyclopropylamino)ethyl]-6-fluorobenzamide?
2-chloro-N-[2-(cyclopropylamino)ethyl]-6-fluorobenzamide has a molecular weight of 256.71 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(cyclopropylamino)ethyl]-6-fluorobenzamide is sourced from PubChem (CID 62664556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).