N-(2-aminoethyl)-2-chloro-4-fluoro-N-methylbenzamide

C10H12ClFN2O — CID 62686238

IUPACN-(2-aminoethyl)-2-chloro-4-fluoro-N-methylbenzamide
SMILESCN(CCN)C(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C10H12ClFN2O/c1-14(5-4-13)10(15)8-3-2-7(12)6-9(8)11/h2-3,6H,4-5,13H2,1H3
InChIKeyPIKFYKIOTCGVST-UHFFFAOYSA-N
MW230.67 g/mol
LogP1.51
Rot. Bonds3

About N-(2-aminoethyl)-2-chloro-4-fluoro-N-methylbenzamide

N-(2-aminoethyl)-2-chloro-4-fluoro-N-methylbenzamide (PubChem CID 62686238) has the molecular formula C10H12ClFN2O and a molecular weight of 230.67 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-chloro-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-chloro-4-fluoro-N-methylbenzamide
PubChem CID62686238
Molecular FormulaC10H12ClFN2O
Molecular Weight230.67 g/mol
Exact Mass230.06
IUPAC NameN-(2-aminoethyl)-2-chloro-4-fluoro-N-methylbenzamide
SMILESCN(CCN)C(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C10H12ClFN2O/c1-14(5-4-13)10(15)8-3-2-7(12)6-9(8)11/h2-3,6H,4-5,13H2,1H3
InChIKeyPIKFYKIOTCGVST-UHFFFAOYSA-N
XLogP1.51
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-2,4-dichloro-N-methylbenzamide
CID 62686423
N-(3-bromopropyl)-2-chloro-4-fluoro-N-methylbenzamide
CID 106441252
N-(2-aminoethyl)-4-chloro-2-fluoro-N-methylbenzamide
CID 62686056
N-(2-aminoethyl)-2-bromo-5-fluoro-N-methylbenzamide
CID 62686241
2-chloro-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 78768857
N-(2-aminoethyl)-N-benzyl-2-chloro-4-fluorobenzamide
CID 104859477
2-chloro-4-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
CID 134028048
N-(1-aminopropan-2-yl)-2-chloro-4-fluoro-N-methylbenzamide;hydrochloride
CID 119584840
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-chloro-4-fluoro-N-methylbenzamide
CID 54992211
2,4-dichloro-N-(2-chloroethyl)-N-methylbenzamide
CID 63391248
2-chloro-N-[2-(dimethylamino)ethyl]-4-fluorobenzamide
CID 6465941
N-(3-aminopropyl)-2-chloro-5-fluoro-N,4-dimethylbenzamide
CID 117045005

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-chloro-4-fluoro-N-methylbenzamide?
The IUPAC name of N-(2-aminoethyl)-2-chloro-4-fluoro-N-methylbenzamide (CID 62686238) is N-(2-aminoethyl)-2-chloro-4-fluoro-N-methylbenzamide.
What is the SMILES notation for N-(2-aminoethyl)-2-chloro-4-fluoro-N-methylbenzamide?
The canonical SMILES for N-(2-aminoethyl)-2-chloro-4-fluoro-N-methylbenzamide is CN(CCN)C(=O)c1ccc(F)cc1Cl.
What is the InChIKey of N-(2-aminoethyl)-2-chloro-4-fluoro-N-methylbenzamide?
The InChIKey is PIKFYKIOTCGVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O/c1-14(5-4-13)10(15)8-3-2-7(12)6-9(8)11/h2-3,6H,4-5,13H2,1H3.
What are the key properties of N-(2-aminoethyl)-2-chloro-4-fluoro-N-methylbenzamide?
N-(2-aminoethyl)-2-chloro-4-fluoro-N-methylbenzamide has a molecular weight of 230.67 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-chloro-4-fluoro-N-methylbenzamide is sourced from PubChem (CID 62686238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).