2-tert-butyl-N-[2-(chloromethyl)phenyl]benzamide

C18H20ClNO — CID 114298256

IUPAC2-tert-butyl-N-[2-(chloromethyl)phenyl]benzamide
SMILESCC(C)(C)c1ccccc1C(=O)Nc1ccccc1CCl
InChIInChI=1S/C18H20ClNO/c1-18(2,3)15-10-6-5-9-14(15)17(21)20-16-11-7-4-8-13(16)12-19/h4-11H,12H2,1-3H3,(H,20,21)
InChIKeyKBERZZPLMXCIAC-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.98
Rot. Bonds3

About 2-tert-butyl-N-[2-(chloromethyl)phenyl]benzamide

2-tert-butyl-N-[2-(chloromethyl)phenyl]benzamide (PubChem CID 114298256) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 2-tert-butyl-N-[2-(chloromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-tert-butyl-N-[2-(chloromethyl)phenyl]benzamide
PubChem CID114298256
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name2-tert-butyl-N-[2-(chloromethyl)phenyl]benzamide
SMILESCC(C)(C)c1ccccc1C(=O)Nc1ccccc1CCl
InChIInChI=1S/C18H20ClNO/c1-18(2,3)15-10-6-5-9-14(15)17(21)20-16-11-7-4-8-13(16)12-19/h4-11H,12H2,1-3H3,(H,20,21)
InChIKeyKBERZZPLMXCIAC-UHFFFAOYSA-N
XLogP4.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-N-[2-(chloromethyl)phenyl]benzamide
CID 114298246
N-[2-(chloromethyl)phenyl]thiophene-2-carboxamide
CID 114298046
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
N-[2-(chloromethyl)phenyl]-2,2-dimethylbutanamide
CID 114298325
3-bromo-N-[2-(chloromethyl)phenyl]-2-fluorobenzamide
CID 107956658
2,4-dichloro-N-[2-(chloromethyl)phenyl]benzamide
CID 114298395
2-bromo-N-[2-(chloromethyl)phenyl]-5-methylbenzamide
CID 114298590
N-[2-(chloromethyl)phenyl]-3,5-dimethylbenzamide
CID 114298542
5-bromo-2-chloro-N-[2-(chloromethyl)phenyl]benzamide
CID 114298302
4-chloro-N-[2-(chloromethyl)phenyl]-2-fluorobenzamide
CID 114298237
N-[2-(chloromethyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide
CID 114298281
4-chloro-N-[2-(chloromethyl)phenyl]-2-methoxybenzamide
CID 114298257

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[2-(chloromethyl)phenyl]benzamide?
The IUPAC name of 2-tert-butyl-N-[2-(chloromethyl)phenyl]benzamide (CID 114298256) is 2-tert-butyl-N-[2-(chloromethyl)phenyl]benzamide.
What is the SMILES notation for 2-tert-butyl-N-[2-(chloromethyl)phenyl]benzamide?
The canonical SMILES for 2-tert-butyl-N-[2-(chloromethyl)phenyl]benzamide is CC(C)(C)c1ccccc1C(=O)Nc1ccccc1CCl.
What is the InChIKey of 2-tert-butyl-N-[2-(chloromethyl)phenyl]benzamide?
The InChIKey is KBERZZPLMXCIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-18(2,3)15-10-6-5-9-14(15)17(21)20-16-11-7-4-8-13(16)12-19/h4-11H,12H2,1-3H3,(H,20,21).
What are the key properties of 2-tert-butyl-N-[2-(chloromethyl)phenyl]benzamide?
2-tert-butyl-N-[2-(chloromethyl)phenyl]benzamide has a molecular weight of 301.82 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[2-(chloromethyl)phenyl]benzamide is sourced from PubChem (CID 114298256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).