N-[(4-chlorophenyl)methyl]-4-ethylbenzamide

C16H16ClNO — CID 2097068

IUPACN-[(4-chlorophenyl)methyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClNO/c1-2-12-3-7-14(8-4-12)16(19)18-11-13-5-9-15(17)10-6-13/h3-10H,2,11H2,1H3,(H,18,19)
InChIKeyQGUFIKGEGHHXAZ-UHFFFAOYSA-N
MW273.76 g/mol
LogP3.83
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-4-ethylbenzamide

N-[(4-chlorophenyl)methyl]-4-ethylbenzamide (PubChem CID 2097068) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-ethylbenzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-ethylbenzamide
PubChem CID2097068
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC NameN-[(4-chlorophenyl)methyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClNO/c1-2-12-3-7-14(8-4-12)16(19)18-11-13-5-9-15(17)10-6-13/h3-10H,2,11H2,1H3,(H,18,19)
InChIKeyQGUFIKGEGHHXAZ-UHFFFAOYSA-N
XLogP3.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-ethylbenzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-ethylbenzamide (CID 2097068) is N-[(4-chlorophenyl)methyl]-4-ethylbenzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-ethylbenzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-ethylbenzamide is CCc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-ethylbenzamide?
The InChIKey is QGUFIKGEGHHXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-2-12-3-7-14(8-4-12)16(19)18-11-13-5-9-15(17)10-6-13/h3-10H,2,11H2,1H3,(H,18,19).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-ethylbenzamide?
N-[(4-chlorophenyl)methyl]-4-ethylbenzamide has a molecular weight of 273.76 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-ethylbenzamide is sourced from PubChem (CID 2097068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).