2,4-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide

C16H15Cl2NO — CID 43915384

IUPAC2,4-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H15Cl2NO/c1-10-3-5-12(6-4-10)11(2)19-16(20)14-8-7-13(17)9-15(14)18/h3-9,11H,1-2H3,(H,19,20)
InChIKeyCMCRSEVXIYKEBE-UHFFFAOYSA-N
MW308.21 g/mol
LogP4.79
Rot. Bonds3

About 2,4-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide

2,4-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide (PubChem CID 43915384) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is 2,4-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide
PubChem CID43915384
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC Name2,4-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H15Cl2NO/c1-10-3-5-12(6-4-10)11(2)19-16(20)14-8-7-13(17)9-15(14)18/h3-9,11H,1-2H3,(H,19,20)
InChIKeyCMCRSEVXIYKEBE-UHFFFAOYSA-N
XLogP4.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-4-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 81355744
2,4-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 99951194
2-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]-4-nitrobenzamide
CID 95943564
2-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751519
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751520
[2-[[(1R)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 2,4-dichlorobenzoate
CID 95796841
N-[(1R)-1-(3-bromophenyl)ethyl]-2,4-dichlorobenzamide
CID 28558105
2,4-dichloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 16574257
2,4-dichloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 16574178
N-[1-(3,4-dichlorophenyl)ethyl]-2-fluoro-5-methylbenzamide
CID 62513333
2,4-dichloro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]benzamide
CID 1474183
5-chloro-2-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 92538270

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide (CID 43915384) is 2,4-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide is Cc1ccc(C(C)NC(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2,4-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide?
The InChIKey is CMCRSEVXIYKEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO/c1-10-3-5-12(6-4-10)11(2)19-16(20)14-8-7-13(17)9-15(14)18/h3-9,11H,1-2H3,(H,19,20).
What are the key properties of 2,4-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide?
2,4-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide has a molecular weight of 308.21 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 43915384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).