4-(chloromethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzamide

C15H20ClNO — CID 79358822

IUPAC4-(chloromethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
SMILESCC1(C)C(NC(=O)c2ccc(CCl)cc2)C1(C)C
InChIInChI=1S/C15H20ClNO/c1-14(2)13(15(14,3)4)17-12(18)11-7-5-10(9-16)6-8-11/h5-8,13H,9H2,1-4H3,(H,17,18)
InChIKeyDMFAMECXOCQUKF-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.59
Rot. Bonds3

About 4-(chloromethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzamide

4-(chloromethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzamide (PubChem CID 79358822) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
PubChem CID79358822
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name4-(chloromethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
SMILESCC1(C)C(NC(=O)c2ccc(CCl)cc2)C1(C)C
InChIInChI=1S/C15H20ClNO/c1-14(2)13(15(14,3)4)17-12(18)11-7-5-10(9-16)6-8-11/h5-8,13H,9H2,1-4H3,(H,17,18)
InChIKeyDMFAMECXOCQUKF-UHFFFAOYSA-N
XLogP3.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.59
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-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]benzoic acid
CID 79356507
4-bromo-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79350622
4-(ethylamino)-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79356898
4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]benzenesulfonyl chloride
CID 79363220
4-(chloromethyl)-N-(4-methylcyclohexyl)benzamide
CID 43333286
4-(chloromethyl)-N',N'-dimethylbenzohydrazide
CID 83011386
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-ethylbenzamide
CID 79711984
4-(chloromethyl)-N-(3-methylcyclohexyl)benzamide
CID 43317913
N-methyl-4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]benzamide
CID 79358376
4-(chloromethyl)-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106359879
5-(aminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-2-carboxamide
CID 79351403
3-amino-4-methyl-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79353186

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzamide?
The IUPAC name of 4-(chloromethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzamide (CID 79358822) is 4-(chloromethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzamide.
What is the SMILES notation for 4-(chloromethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzamide?
The canonical SMILES for 4-(chloromethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzamide is CC1(C)C(NC(=O)c2ccc(CCl)cc2)C1(C)C.
What is the InChIKey of 4-(chloromethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzamide?
The InChIKey is DMFAMECXOCQUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-14(2)13(15(14,3)4)17-12(18)11-7-5-10(9-16)6-8-11/h5-8,13H,9H2,1-4H3,(H,17,18).
What are the key properties of 4-(chloromethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzamide?
4-(chloromethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzamide has a molecular weight of 265.78 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzamide is sourced from PubChem (CID 79358822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).