3,5-dichloro-N-[2-(ethylaminomethyl)phenyl]benzamide

C16H16Cl2N2O — CID 43601335

IUPAC3,5-dichloro-N-[2-(ethylaminomethyl)phenyl]benzamide
SMILESCCNCc1ccccc1NC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H16Cl2N2O/c1-2-19-10-11-5-3-4-6-15(11)20-16(21)12-7-13(17)9-14(18)8-12/h3-9,19H,2,10H2,1H3,(H,20,21)
InChIKeyHEOFEZLTHKYSBT-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.36
Rot. Bonds5

About 3,5-dichloro-N-[2-(ethylaminomethyl)phenyl]benzamide

3,5-dichloro-N-[2-(ethylaminomethyl)phenyl]benzamide (PubChem CID 43601335) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is 3,5-dichloro-N-[2-(ethylaminomethyl)phenyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[2-(ethylaminomethyl)phenyl]benzamide
PubChem CID43601335
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name3,5-dichloro-N-[2-(ethylaminomethyl)phenyl]benzamide
SMILESCCNCc1ccccc1NC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H16Cl2N2O/c1-2-19-10-11-5-3-4-6-15(11)20-16(21)12-7-13(17)9-14(18)8-12/h3-9,19H,2,10H2,1H3,(H,20,21)
InChIKeyHEOFEZLTHKYSBT-UHFFFAOYSA-N
XLogP4.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]-3,5-dimethylbenzamide
CID 43601336
N-[2-(ethylaminomethyl)phenyl]-3,5-dimethoxybenzamide
CID 119438730
4-acetyl-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride
CID 86779920
N-[2-(ethylaminomethyl)phenyl]-3,4-dimethylbenzamide;hydrochloride
CID 119440699
3,5-dichloro-N-[2-(ethylcarbamoyl)phenyl]benzamide
CID 17133523
N-[2-(ethylaminomethyl)phenyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103805548
N-[2-(ethylaminomethyl)phenyl]thiophene-3-carboxamide
CID 43601345
N-[2-(ethylaminomethyl)phenyl]-4-methylsulfanylbenzamide
CID 79213773
3,4-diethoxy-N-[2-(ethylaminomethyl)phenyl]benzamide
CID 119438964
3-bromo-N-[2-(ethylaminomethyl)phenyl]-4-methylbenzamide
CID 81459743
3,5-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 27762230
N-[2-(ethylaminomethyl)phenyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 103793628

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[2-(ethylaminomethyl)phenyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[2-(ethylaminomethyl)phenyl]benzamide (CID 43601335) is 3,5-dichloro-N-[2-(ethylaminomethyl)phenyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[2-(ethylaminomethyl)phenyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[2-(ethylaminomethyl)phenyl]benzamide is CCNCc1ccccc1NC(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-[2-(ethylaminomethyl)phenyl]benzamide?
The InChIKey is HEOFEZLTHKYSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-2-19-10-11-5-3-4-6-15(11)20-16(21)12-7-13(17)9-14(18)8-12/h3-9,19H,2,10H2,1H3,(H,20,21).
What are the key properties of 3,5-dichloro-N-[2-(ethylaminomethyl)phenyl]benzamide?
3,5-dichloro-N-[2-(ethylaminomethyl)phenyl]benzamide has a molecular weight of 323.22 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[2-(ethylaminomethyl)phenyl]benzamide is sourced from PubChem (CID 43601335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).