4-(chloromethyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide

C18H20ClNO — CID 43333467

IUPAC4-(chloromethyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1ccc(CCl)cc1
InChIInChI=1S/C18H20ClNO/c1-12(2)16-6-4-5-13(3)17(16)20-18(21)15-9-7-14(11-19)8-10-15/h4-10,12H,11H2,1-3H3,(H,20,21)
InChIKeyKJXYUDAOMVNMQV-UHFFFAOYSA-N
MW301.82 g/mol
LogP5.11
Rot. Bonds4

About 4-(chloromethyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide

4-(chloromethyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide (PubChem CID 43333467) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
PubChem CID43333467
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name4-(chloromethyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1ccc(CCl)cc1
InChIInChI=1S/C18H20ClNO/c1-12(2)16-6-4-5-13(3)17(16)20-18(21)15-9-7-14(11-19)8-10-15/h4-10,12H,11H2,1-3H3,(H,20,21)
InChIKeyKJXYUDAOMVNMQV-UHFFFAOYSA-N
XLogP5.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.82
LogP ≤ 55.11
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-ethoxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 2701404
N-(2-methyl-6-propan-2-ylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 43040959
2-N,5-N-bis(2-methyl-6-propan-2-ylphenyl)pyridine-2,5-dicarboxamide
CID 1312773
N-(2-methyl-6-propan-2-ylphenyl)-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 2205983
N-(2-methyl-6-propan-2-ylphenyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 46680510
6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide
CID 18148418
4-(chloromethyl)-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
CID 81375390
3-chloro-2-methyl-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 62727710
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
2-(4-chlorophenyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2165744
4-amino-3-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 107073896
4-(tert-butylsulfamoyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 46689119

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide?
The IUPAC name of 4-(chloromethyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide (CID 43333467) is 4-(chloromethyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 4-(chloromethyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide?
The canonical SMILES for 4-(chloromethyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide is Cc1cccc(C(C)C)c1NC(=O)c1ccc(CCl)cc1.
What is the InChIKey of 4-(chloromethyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide?
The InChIKey is KJXYUDAOMVNMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-12(2)16-6-4-5-13(3)17(16)20-18(21)15-9-7-14(11-19)8-10-15/h4-10,12H,11H2,1-3H3,(H,20,21).
What are the key properties of 4-(chloromethyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide?
4-(chloromethyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide has a molecular weight of 301.82 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 43333467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).