4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]benzamide

C17H18ClNO — CID 17327139

IUPAC4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
SMILESCc1ccc(C)c(C(C)NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H18ClNO/c1-11-4-5-12(2)16(10-11)13(3)19-17(20)14-6-8-15(18)9-7-14/h4-10,13H,1-3H3,(H,19,20)
InChIKeySKUGLPIXNXOIMF-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.45
Rot. Bonds3

About 4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]benzamide

4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]benzamide (PubChem CID 17327139) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
PubChem CID17327139
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
SMILESCc1ccc(C)c(C(C)NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H18ClNO/c1-11-4-5-12(2)16(10-11)13(3)19-17(20)14-6-8-15(18)9-7-14/h4-10,13H,1-3H3,(H,19,20)
InChIKeySKUGLPIXNXOIMF-UHFFFAOYSA-N
XLogP4.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-amino-N-[1-(2,5-dimethylphenyl)ethyl]-3-methylbenzamide
CID 43713071
N-[1-(2,5-dimethylphenyl)ethyl]-2,5-difluorobenzamide
CID 16560846
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzamide
CID 1225343
5-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80626107
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100704928
(2R)-2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]propanamide
CID 99130674
(2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide
CID 99130938
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 32567523
4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]pyridine-3-carboxamide
CID 81227397
2-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluorobenzamide
CID 17167985
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-fluorobenzamide
CID 841056
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-iodobenzamide
CID 95356346

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]benzamide?
The IUPAC name of 4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]benzamide (CID 17327139) is 4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]benzamide is Cc1ccc(C)c(C(C)NC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]benzamide?
The InChIKey is SKUGLPIXNXOIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-11-4-5-12(2)16(10-11)13(3)19-17(20)14-6-8-15(18)9-7-14/h4-10,13H,1-3H3,(H,19,20).
What are the key properties of 4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]benzamide?
4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]benzamide has a molecular weight of 287.79 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]benzamide is sourced from PubChem (CID 17327139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).