N-[[1-(aminomethyl)cyclopropyl]methyl]-2-chloro-6-fluorobenzamide

C12H14ClFN2O — CID 115267344

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-2-chloro-6-fluorobenzamide
SMILESNCC1(CNC(=O)c2c(F)cccc2Cl)CC1
InChIInChI=1S/C12H14ClFN2O/c13-8-2-1-3-9(14)10(8)11(17)16-7-12(6-15)4-5-12/h1-3H,4-7,15H2,(H,16,17)
InChIKeyRWQUYHANJBDXHB-UHFFFAOYSA-N
MW256.71 g/mol
LogP1.95
Rot. Bonds4

About N-[[1-(aminomethyl)cyclopropyl]methyl]-2-chloro-6-fluorobenzamide

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-chloro-6-fluorobenzamide (PubChem CID 115267344) has the molecular formula C12H14ClFN2O and a molecular weight of 256.71 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-chloro-6-fluorobenzamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-chloro-6-fluorobenzamide
PubChem CID115267344
Molecular FormulaC12H14ClFN2O
Molecular Weight256.71 g/mol
Exact Mass256.08
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-chloro-6-fluorobenzamide
SMILESNCC1(CNC(=O)c2c(F)cccc2Cl)CC1
InChIInChI=1S/C12H14ClFN2O/c13-8-2-1-3-9(14)10(8)11(17)16-7-12(6-15)4-5-12/h1-3H,4-7,15H2,(H,16,17)
InChIKeyRWQUYHANJBDXHB-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

2-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]-6-fluorobenzamide
CID 114758157
2-chloro-6-fluoro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide
CID 42266029
2-chloro-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-6-fluorobenzamide
CID 110445812
N-(3-amino-2,2-difluoropropyl)-2-chloro-6-fluorobenzamide
CID 114383783
2-chloro-N-[[1-(chloromethyl)cyclopropyl]methyl]-3-fluorobenzamide
CID 115456051
2-chloro-N-(2-chloroprop-2-enyl)-6-fluorobenzamide
CID 115636603
2,6-dichloro-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113651
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-fluoro-4-methylbenzamide
CID 115456835
2-chloro-6-fluoro-N-[(4-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-yl)methyl]benzamide
CID 154581663
2-chloro-6-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503921
2-chloro-N-(cyanomethyl)-6-fluorobenzamide
CID 60894493
2-chloro-6-fluoro-N-(2-methoxyethyl)benzamide
CID 17217215

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-chloro-6-fluorobenzamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-chloro-6-fluorobenzamide (CID 115267344) is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-chloro-6-fluorobenzamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-chloro-6-fluorobenzamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-chloro-6-fluorobenzamide is NCC1(CNC(=O)c2c(F)cccc2Cl)CC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-chloro-6-fluorobenzamide?
The InChIKey is RWQUYHANJBDXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O/c13-8-2-1-3-9(14)10(8)11(17)16-7-12(6-15)4-5-12/h1-3H,4-7,15H2,(H,16,17).
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-chloro-6-fluorobenzamide?
N-[[1-(aminomethyl)cyclopropyl]methyl]-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-[[1-(aminomethyl)cyclopropyl]methyl]-2-chloro-6-fluorobenzamide is sourced from PubChem (CID 115267344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).