N-(2-aminoethyl)-2-chloro-4-fluoro-5-methylbenzamide

C10H12ClFN2O — CID 119382876

IUPACN-(2-aminoethyl)-2-chloro-4-fluoro-5-methylbenzamide
SMILESCc1cc(C(=O)NCCN)c(Cl)cc1F
InChIInChI=1S/C10H12ClFN2O/c1-6-4-7(8(11)5-9(6)12)10(15)14-3-2-13/h4-5H,2-3,13H2,1H3,(H,14,15)
InChIKeyWOBPTSBICPTYLU-UHFFFAOYSA-N
MW230.67 g/mol
LogP1.48
Rot. Bonds3

About N-(2-aminoethyl)-2-chloro-4-fluoro-5-methylbenzamide

N-(2-aminoethyl)-2-chloro-4-fluoro-5-methylbenzamide (PubChem CID 119382876) 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-5-methylbenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-chloro-4-fluoro-5-methylbenzamide
PubChem CID119382876
Molecular FormulaC10H12ClFN2O
Molecular Weight230.67 g/mol
Exact Mass230.06
IUPAC NameN-(2-aminoethyl)-2-chloro-4-fluoro-5-methylbenzamide
SMILESCc1cc(C(=O)NCCN)c(Cl)cc1F
InChIInChI=1S/C10H12ClFN2O/c1-6-4-7(8(11)5-9(6)12)10(15)14-3-2-13/h4-5H,2-3,13H2,1H3,(H,14,15)
InChIKeyWOBPTSBICPTYLU-UHFFFAOYSA-N
XLogP1.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-fluoro-N-(2-hydroxyethyl)-4-methylbenzamide
CID 117044379
2-chloro-5-fluoro-N-(3-hydroxypropyl)-4-methylbenzamide
CID 117044380
N-(3-aminobutyl)-2-chloro-5-fluoro-4-methylbenzamide
CID 117044369
N-(3-aminopropyl)-2-chloro-4,5-difluorobenzamide;hydrochloride
CID 119407529
N-(2-aminoethyl)-2-chloro-5-methylsulfanylbenzamide
CID 61379070
2-chloro-4-fluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-5-methylbenzamide
CID 167757534
2-chloro-5-fluoro-N,4-dimethylbenzamide
CID 116827653
(2-chloro-4-fluoro-5-methylphenyl)-(2,6-difluorophenyl)methanone
CID 81045029
N-(3-aminopropyl)-5-chloro-2-methylbenzamide
CID 82883577
N-(4-aminobutyl)-5-chloro-2-methylbenzamide
CID 82883578
N-(3-aminopropyl)-2-chloro-5-fluoro-N,4-dimethylbenzamide
CID 117045005
2-chloro-5-fluoro-4-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]benzamide
CID 117044920

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-chloro-4-fluoro-5-methylbenzamide?
The IUPAC name of N-(2-aminoethyl)-2-chloro-4-fluoro-5-methylbenzamide (CID 119382876) is N-(2-aminoethyl)-2-chloro-4-fluoro-5-methylbenzamide.
What is the SMILES notation for N-(2-aminoethyl)-2-chloro-4-fluoro-5-methylbenzamide?
The canonical SMILES for N-(2-aminoethyl)-2-chloro-4-fluoro-5-methylbenzamide is Cc1cc(C(=O)NCCN)c(Cl)cc1F.
What is the InChIKey of N-(2-aminoethyl)-2-chloro-4-fluoro-5-methylbenzamide?
The InChIKey is WOBPTSBICPTYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O/c1-6-4-7(8(11)5-9(6)12)10(15)14-3-2-13/h4-5H,2-3,13H2,1H3,(H,14,15).
What are the key properties of N-(2-aminoethyl)-2-chloro-4-fluoro-5-methylbenzamide?
N-(2-aminoethyl)-2-chloro-4-fluoro-5-methylbenzamide has a molecular weight of 230.67 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-chloro-4-fluoro-5-methylbenzamide is sourced from PubChem (CID 119382876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).