4-tert-butyl-N-(2-chloro-6-methylphenyl)benzamide

C18H20ClNO — CID 721211

IUPAC4-tert-butyl-N-(2-chloro-6-methylphenyl)benzamide
SMILESCc1cccc(Cl)c1NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H20ClNO/c1-12-6-5-7-15(19)16(12)20-17(21)13-8-10-14(11-9-13)18(2,3)4/h5-11H,1-4H3,(H,20,21)
InChIKeyBMVADWLDSJWZSK-UHFFFAOYSA-N
MW301.82 g/mol
LogP5.20
Rot. Bonds2

About 4-tert-butyl-N-(2-chloro-6-methylphenyl)benzamide

4-tert-butyl-N-(2-chloro-6-methylphenyl)benzamide (PubChem CID 721211) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-chloro-6-methylphenyl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-chloro-6-methylphenyl)benzamide
PubChem CID721211
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name4-tert-butyl-N-(2-chloro-6-methylphenyl)benzamide
SMILESCc1cccc(Cl)c1NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H20ClNO/c1-12-6-5-7-15(19)16(12)20-17(21)13-8-10-14(11-9-13)18(2,3)4/h5-11H,1-4H3,(H,20,21)
InChIKeyBMVADWLDSJWZSK-UHFFFAOYSA-N
XLogP5.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.82
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-N-[(2-chloro-6-methylphenyl)carbamothioyl]benzamide
CID 53371904
N-(2-amino-6-chlorophenyl)-4-tert-butylbenzamide
CID 62083724
3-[(2-chloro-6-methylphenyl)carbamoyl]benzoic acid
CID 66254685
4-tert-butyl-N-(2-ethyl-6-methylphenyl)benzamide
CID 1226062
N-(2-chloro-6-methylphenyl)-3-hydroxy-4-methylbenzamide
CID 66254574
2,6-dichloro-N-(2-chloro-6-methylphenyl)benzamide
CID 4548334
4-tert-butyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]benzamide
CID 113001418
4-bromo-3-chloro-N-(2-chloro-6-methylphenyl)benzamide
CID 81002737
N-(2-chloro-6-methylphenyl)-3-hydroxy-4-iodobenzamide
CID 104629237
N-(2-chloro-6-methylphenyl)-4-fluoro-3-sulfanylbenzamide
CID 107031792
N-(2-chloro-6-methylphenyl)-4-hydroxy-2-methylbenzamide
CID 103865613
4-tert-butyl-N-(2-methylphenyl)benzamide
CID 139185103

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-chloro-6-methylphenyl)benzamide?
The IUPAC name of 4-tert-butyl-N-(2-chloro-6-methylphenyl)benzamide (CID 721211) is 4-tert-butyl-N-(2-chloro-6-methylphenyl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(2-chloro-6-methylphenyl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(2-chloro-6-methylphenyl)benzamide is Cc1cccc(Cl)c1NC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-(2-chloro-6-methylphenyl)benzamide?
The InChIKey is BMVADWLDSJWZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-12-6-5-7-15(19)16(12)20-17(21)13-8-10-14(11-9-13)18(2,3)4/h5-11H,1-4H3,(H,20,21).
What are the key properties of 4-tert-butyl-N-(2-chloro-6-methylphenyl)benzamide?
4-tert-butyl-N-(2-chloro-6-methylphenyl)benzamide has a molecular weight of 301.82 g/mol, XLogP of 5.20, 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-(2-chloro-6-methylphenyl)benzamide is sourced from PubChem (CID 721211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).