N-[2-(3-chlorophenyl)ethyl]-3-methylbenzamide

C16H16ClNO — CID 898672

IUPACN-[2-(3-chlorophenyl)ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C16H16ClNO/c1-12-4-2-6-14(10-12)16(19)18-9-8-13-5-3-7-15(17)11-13/h2-7,10-11H,8-9H2,1H3,(H,18,19)
InChIKeyZDULXPPMCZZCQB-UHFFFAOYSA-N
MW273.76 g/mol
LogP3.62
Rot. Bonds4

About N-[2-(3-chlorophenyl)ethyl]-3-methylbenzamide

N-[2-(3-chlorophenyl)ethyl]-3-methylbenzamide (PubChem CID 898672) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-3-methylbenzamide
PubChem CID898672
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C16H16ClNO/c1-12-4-2-6-14(10-12)16(19)18-9-8-13-5-3-7-15(17)11-13/h2-7,10-11H,8-9H2,1H3,(H,18,19)
InChIKeyZDULXPPMCZZCQB-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Ssr-504734
CID 9954540
N-butyl-2-chlorobenzamide
CID 347041
2-Chloro-N-phenethyl-benzamide
CID 692233
4-methyl-N-(2-phenylethyl)benzamide
CID 723105
N-Ethyl-3-toluamide
CID 93103
Jnj-63533054
CID 2548547
4-Chloro-N-phenethylbenzamide
CID 306479
N-benzyl-4-chlorobenzamide
CID 346668
N-[(4-chlorophenyl)methyl]-4-ethylbenzamide
CID 2097068
1-Benzyl-4-(3-chlorobenzoyl)piperazine
CID 720140
3-methyl-N-(2-phenylethyl)benzamide
CID 723531
4-chloro-N-(2-oxo-2-phenylethyl)benzamide
CID 832101

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-methylbenzamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-methylbenzamide (CID 898672) is N-[2-(3-chlorophenyl)ethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-3-methylbenzamide is Cc1cccc(C(=O)NCCc2cccc(Cl)c2)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-3-methylbenzamide?
The InChIKey is ZDULXPPMCZZCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-12-4-2-6-14(10-12)16(19)18-9-8-13-5-3-7-15(17)11-13/h2-7,10-11H,8-9H2,1H3,(H,18,19).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-3-methylbenzamide?
N-[2-(3-chlorophenyl)ethyl]-3-methylbenzamide has a molecular weight of 273.76 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-3-methylbenzamide is sourced from PubChem (CID 898672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).