4-tert-butyl-N-(5-chloronaphthalen-1-yl)-2-methylbenzamide

C22H22ClNO — CID 71046726

IUPAC4-tert-butyl-N-(5-chloronaphthalen-1-yl)-2-methylbenzamide
SMILESCc1cc(C(C)(C)C)ccc1C(=O)Nc1cccc2c(Cl)cccc12
InChIInChI=1S/C22H22ClNO/c1-14-13-15(22(2,3)4)11-12-16(14)21(25)24-20-10-6-7-17-18(20)8-5-9-19(17)23/h5-13H,1-4H3,(H,24,25)
InChIKeyJESPGWHZWLBQDK-UHFFFAOYSA-N
MW351.88 g/mol
LogP6.35
Rot. Bonds2

About 4-tert-butyl-N-(5-chloronaphthalen-1-yl)-2-methylbenzamide

4-tert-butyl-N-(5-chloronaphthalen-1-yl)-2-methylbenzamide (PubChem CID 71046726) has the molecular formula C22H22ClNO and a molecular weight of 351.88 g/mol. Its IUPAC name is 4-tert-butyl-N-(5-chloronaphthalen-1-yl)-2-methylbenzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(5-chloronaphthalen-1-yl)-2-methylbenzamide
PubChem CID71046726
Molecular FormulaC22H22ClNO
Molecular Weight351.88 g/mol
Exact Mass351.14
IUPAC Name4-tert-butyl-N-(5-chloronaphthalen-1-yl)-2-methylbenzamide
SMILESCc1cc(C(C)(C)C)ccc1C(=O)Nc1cccc2c(Cl)cccc12
InChIInChI=1S/C22H22ClNO/c1-14-13-15(22(2,3)4)11-12-16(14)21(25)24-20-10-6-7-17-18(20)8-5-9-19(17)23/h5-13H,1-4H3,(H,24,25)
InChIKeyJESPGWHZWLBQDK-UHFFFAOYSA-N
XLogP6.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.88
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-N-(2-methylphenyl)naphthalene-1-carboxamide
CID 17101827
4-chloro-N-[2-(2-hydroxy-2-methylpropyl)-1-oxoisoquinolin-5-yl]-2-methylbenzamide
CID 52914584
4-tert-butyl-2-chloro-N-isoquinolin-5-ylbenzamide
CID 70931135
5-chloro-N-(4-iodo-2,5-dimethylphenyl)naphthalene-1-carboxamide
CID 22780345
N-(2-bromo-4-tert-butylphenyl)-2-chlorobenzamide
CID 53268072
5-chloro-N-(2,6-dimethylphenyl)naphthalene-1-carboxamide
CID 2993699
4-tert-butyl-N-(2-chloro-6-methylphenyl)benzamide
CID 721211
methyl 2-[(5-chloronaphthalene-1-carbonyl)amino]benzoate
CID 17102102
N-(2-chloro-6-methylphenyl)-4-fluoro-2-methylbenzamide
CID 113219145
5-chloro-N-(3-chloro-4-methylphenyl)naphthalene-1-carboxamide
CID 17102027
4-fluoro-2-methyl-N-quinolin-5-ylbenzamide
CID 115745134
N-(2-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 2557643

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(5-chloronaphthalen-1-yl)-2-methylbenzamide?
The IUPAC name of 4-tert-butyl-N-(5-chloronaphthalen-1-yl)-2-methylbenzamide (CID 71046726) is 4-tert-butyl-N-(5-chloronaphthalen-1-yl)-2-methylbenzamide.
What is the SMILES notation for 4-tert-butyl-N-(5-chloronaphthalen-1-yl)-2-methylbenzamide?
The canonical SMILES for 4-tert-butyl-N-(5-chloronaphthalen-1-yl)-2-methylbenzamide is Cc1cc(C(C)(C)C)ccc1C(=O)Nc1cccc2c(Cl)cccc12.
What is the InChIKey of 4-tert-butyl-N-(5-chloronaphthalen-1-yl)-2-methylbenzamide?
The InChIKey is JESPGWHZWLBQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO/c1-14-13-15(22(2,3)4)11-12-16(14)21(25)24-20-10-6-7-17-18(20)8-5-9-19(17)23/h5-13H,1-4H3,(H,24,25).
What are the key properties of 4-tert-butyl-N-(5-chloronaphthalen-1-yl)-2-methylbenzamide?
4-tert-butyl-N-(5-chloronaphthalen-1-yl)-2-methylbenzamide has a molecular weight of 351.88 g/mol, XLogP of 6.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(5-chloronaphthalen-1-yl)-2-methylbenzamide is sourced from PubChem (CID 71046726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).