N-[(2,4-dichlorophenyl)methyl]-4-ethylbenzamide

C16H15Cl2NO — CID 2707305

IUPACN-[(2,4-dichlorophenyl)methyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H15Cl2NO/c1-2-11-3-5-12(6-4-11)16(20)19-10-13-7-8-14(17)9-15(13)18/h3-9H,2,10H2,1H3,(H,19,20)
InChIKeyYMJBBUOVMOJNDR-UHFFFAOYSA-N
MW308.21 g/mol
LogP4.49
Rot. Bonds4

About N-[(2,4-dichlorophenyl)methyl]-4-ethylbenzamide

N-[(2,4-dichlorophenyl)methyl]-4-ethylbenzamide (PubChem CID 2707305) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-4-ethylbenzamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-4-ethylbenzamide
PubChem CID2707305
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H15Cl2NO/c1-2-11-3-5-12(6-4-11)16(20)19-10-13-7-8-14(17)9-15(13)18/h3-9H,2,10H2,1H3,(H,19,20)
InChIKeyYMJBBUOVMOJNDR-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-4-ethylbenzamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-4-ethylbenzamide (CID 2707305) is N-[(2,4-dichlorophenyl)methyl]-4-ethylbenzamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-4-ethylbenzamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-4-ethylbenzamide is CCc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-4-ethylbenzamide?
The InChIKey is YMJBBUOVMOJNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO/c1-2-11-3-5-12(6-4-11)16(20)19-10-13-7-8-14(17)9-15(13)18/h3-9H,2,10H2,1H3,(H,19,20).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-4-ethylbenzamide?
N-[(2,4-dichlorophenyl)methyl]-4-ethylbenzamide has a molecular weight of 308.21 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-4-ethylbenzamide is sourced from PubChem (CID 2707305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).