3,4-dichloro-N-[2-(2-methylphenyl)ethyl]benzamide

C16H15Cl2NO — CID 27837884

IUPAC3,4-dichloro-N-[2-(2-methylphenyl)ethyl]benzamide
SMILESCc1ccccc1CCNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl2NO/c1-11-4-2-3-5-12(11)8-9-19-16(20)13-6-7-14(17)15(18)10-13/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeyKDBZBDOMKFXBKT-UHFFFAOYSA-N
MW308.21 g/mol
LogP4.27
Rot. Bonds4

About 3,4-dichloro-N-[2-(2-methylphenyl)ethyl]benzamide

3,4-dichloro-N-[2-(2-methylphenyl)ethyl]benzamide (PubChem CID 27837884) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-(2-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-(2-methylphenyl)ethyl]benzamide
PubChem CID27837884
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC Name3,4-dichloro-N-[2-(2-methylphenyl)ethyl]benzamide
SMILESCc1ccccc1CCNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl2NO/c1-11-4-2-3-5-12(11)8-9-19-16(20)13-6-7-14(17)15(18)10-13/h2-7,10H,8-9H2,1H3,(H,19,20)
InChIKeyKDBZBDOMKFXBKT-UHFFFAOYSA-N
XLogP4.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-amino-5-chloro-N-[2-(2-methylphenyl)ethyl]pyridine-3-carboxamide
CID 78990903
4-hydroxy-3-methyl-N-[2-(2-methylphenyl)ethyl]benzamide
CID 103956274
3-hydroxy-4-iodo-N-[2-(2-methylphenyl)ethyl]benzamide
CID 104627455
3-bromo-5-chloro-N-[2-(2-methylphenyl)ethyl]benzamide
CID 107952730
4-amino-3-bromo-N-[2-(2-methylphenyl)ethyl]benzamide
CID 79749765
N-[2-(2-methylphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999158
3-carbamothioyl-N-[2-(2-methylphenyl)ethyl]benzamide
CID 79754667
5-hydroxy-N-[2-(2-methylphenyl)ethyl]pyridine-3-carboxamide
CID 78953956
3-chloro-N-[2-(2-methylphenyl)ethyl]pyridine-4-carboxamide
CID 79079687
N-[2-(2-methylphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 18114578
N-[2-(2-methylphenyl)ethyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 27164026
3-chloro-N-[(2-hydroxyphenyl)methyl]-4-methylbenzamide
CID 115610944

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-(2-methylphenyl)ethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-(2-methylphenyl)ethyl]benzamide (CID 27837884) is 3,4-dichloro-N-[2-(2-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-(2-methylphenyl)ethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-(2-methylphenyl)ethyl]benzamide is Cc1ccccc1CCNC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2-(2-methylphenyl)ethyl]benzamide?
The InChIKey is KDBZBDOMKFXBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO/c1-11-4-2-3-5-12(11)8-9-19-16(20)13-6-7-14(17)15(18)10-13/h2-7,10H,8-9H2,1H3,(H,19,20).
What are the key properties of 3,4-dichloro-N-[2-(2-methylphenyl)ethyl]benzamide?
3,4-dichloro-N-[2-(2-methylphenyl)ethyl]benzamide has a molecular weight of 308.21 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-(2-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 27837884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).