N-tert-butyl-4-(2-chlorophenyl)benzamide

C17H18ClNO — CID 174761661

IUPACN-tert-butyl-4-(2-chlorophenyl)benzamide
SMILESCC(C)(C)NC(=O)c1ccc(-c2ccccc2Cl)cc1
InChIInChI=1S/C17H18ClNO/c1-17(2,3)19-16(20)13-10-8-12(9-11-13)14-6-4-5-7-15(14)18/h4-11H,1-3H3,(H,19,20)
InChIKeyRNAVMSOZKLRVQZ-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.54
Rot. Bonds2

About N-tert-butyl-4-(2-chlorophenyl)benzamide

N-tert-butyl-4-(2-chlorophenyl)benzamide (PubChem CID 174761661) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is N-tert-butyl-4-(2-chlorophenyl)benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-(2-chlorophenyl)benzamide
PubChem CID174761661
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC NameN-tert-butyl-4-(2-chlorophenyl)benzamide
SMILESCC(C)(C)NC(=O)c1ccc(-c2ccccc2Cl)cc1
InChIInChI=1S/C17H18ClNO/c1-17(2,3)19-16(20)13-10-8-12(9-11-13)14-6-4-5-7-15(14)18/h4-11H,1-3H3,(H,19,20)
InChIKeyRNAVMSOZKLRVQZ-UHFFFAOYSA-N
XLogP4.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 11451055
2-(4-acetylphenyl)-N-tert-butylbenzamide
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N-tert-butyl-2-(4-methylphenyl)benzamide
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N-tert-butyl-4-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 46539791
N-tert-butyl-2,6-dichlorobenzamide
CID 690474
N-tert-butyl-4-(3-methylphenyl)benzamide
CID 59900664
N-tert-butyl-4-(125I)iodo(125I)benzamide
CID 177457231
4-(2,3-dichlorophenyl)-N-hydroxybenzamide
CID 10192965
4-[4-(tert-butylcarbamoyl)benzoyl]benzoic acid
CID 10892724
N-tert-butyl-2,3-dichlorobenzamide
CID 60643074
4-N-tert-butyl-1-N-(3,5-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109048535
N-tert-butyl-4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)benzamide
CID 18415871

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(2-chlorophenyl)benzamide?
The IUPAC name of N-tert-butyl-4-(2-chlorophenyl)benzamide (CID 174761661) is N-tert-butyl-4-(2-chlorophenyl)benzamide.
What is the SMILES notation for N-tert-butyl-4-(2-chlorophenyl)benzamide?
The canonical SMILES for N-tert-butyl-4-(2-chlorophenyl)benzamide is CC(C)(C)NC(=O)c1ccc(-c2ccccc2Cl)cc1.
What is the InChIKey of N-tert-butyl-4-(2-chlorophenyl)benzamide?
The InChIKey is RNAVMSOZKLRVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-17(2,3)19-16(20)13-10-8-12(9-11-13)14-6-4-5-7-15(14)18/h4-11H,1-3H3,(H,19,20).
What are the key properties of N-tert-butyl-4-(2-chlorophenyl)benzamide?
N-tert-butyl-4-(2-chlorophenyl)benzamide has a molecular weight of 287.79 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(2-chlorophenyl)benzamide is sourced from PubChem (CID 174761661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).