4-chloro-N-[(4-chlorocyclohexyl)methyl]-2-methylbenzamide

C15H19Cl2NO — CID 106134057

IUPAC4-chloro-N-[(4-chlorocyclohexyl)methyl]-2-methylbenzamide
SMILESCc1cc(Cl)ccc1C(=O)NCC1CCC(Cl)CC1
InChIInChI=1S/C15H19Cl2NO/c1-10-8-13(17)6-7-14(10)15(19)18-9-11-2-4-12(16)5-3-11/h6-8,11-12H,2-5,9H2,1H3,(H,18,19)
InChIKeyYOJFNKJMNUJREZ-UHFFFAOYSA-N
MW300.23 g/mol
LogP4.18
Rot. Bonds3

About 4-chloro-N-[(4-chlorocyclohexyl)methyl]-2-methylbenzamide

4-chloro-N-[(4-chlorocyclohexyl)methyl]-2-methylbenzamide (PubChem CID 106134057) has the molecular formula C15H19Cl2NO and a molecular weight of 300.23 g/mol. Its IUPAC name is 4-chloro-N-[(4-chlorocyclohexyl)methyl]-2-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[(4-chlorocyclohexyl)methyl]-2-methylbenzamide
PubChem CID106134057
Molecular FormulaC15H19Cl2NO
Molecular Weight300.23 g/mol
Exact Mass299.08
IUPAC Name4-chloro-N-[(4-chlorocyclohexyl)methyl]-2-methylbenzamide
SMILESCc1cc(Cl)ccc1C(=O)NCC1CCC(Cl)CC1
InChIInChI=1S/C15H19Cl2NO/c1-10-8-13(17)6-7-14(10)15(19)18-9-11-2-4-12(16)5-3-11/h6-8,11-12H,2-5,9H2,1H3,(H,18,19)
InChIKeyYOJFNKJMNUJREZ-UHFFFAOYSA-N
XLogP4.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 54.18
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

2-amino-4-chloro-N-(cyclopropylmethyl)benzamide
CID 16793100
5-chloro-N-[(3-chlorocyclopentyl)methyl]-2-methoxybenzamide
CID 114146911
5-chloro-N-(cyclopropylmethyl)-2-(ethylamino)benzamide
CID 62173260
N-[(4-chlorocyclohexyl)methyl]-2,3-dihydroxybenzamide
CID 106133738
N-[(4-chlorocyclohexyl)methyl]-2,4,6-trimethylbenzamide
CID 106133711
5-chloro-2-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 114146514
N-[(4-chlorocyclohexyl)methyl]-3-methoxy-4-methylbenzamide
CID 106133824
2,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736396
4-chloro-2-methyl-N-(morpholin-2-ylmethyl)benzamide
CID 114028076
5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide
CID 60674706
N-[(4-chlorocyclohexyl)methyl]-2,3-difluorobenzamide
CID 114147871
4-chloro-2-hydroxy-N-(oxan-4-ylmethyl)benzamide
CID 62328293

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-chlorocyclohexyl)methyl]-2-methylbenzamide?
The IUPAC name of 4-chloro-N-[(4-chlorocyclohexyl)methyl]-2-methylbenzamide (CID 106134057) is 4-chloro-N-[(4-chlorocyclohexyl)methyl]-2-methylbenzamide.
What is the SMILES notation for 4-chloro-N-[(4-chlorocyclohexyl)methyl]-2-methylbenzamide?
The canonical SMILES for 4-chloro-N-[(4-chlorocyclohexyl)methyl]-2-methylbenzamide is Cc1cc(Cl)ccc1C(=O)NCC1CCC(Cl)CC1.
What is the InChIKey of 4-chloro-N-[(4-chlorocyclohexyl)methyl]-2-methylbenzamide?
The InChIKey is YOJFNKJMNUJREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO/c1-10-8-13(17)6-7-14(10)15(19)18-9-11-2-4-12(16)5-3-11/h6-8,11-12H,2-5,9H2,1H3,(H,18,19).
What are the key properties of 4-chloro-N-[(4-chlorocyclohexyl)methyl]-2-methylbenzamide?
4-chloro-N-[(4-chlorocyclohexyl)methyl]-2-methylbenzamide has a molecular weight of 300.23 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-chlorocyclohexyl)methyl]-2-methylbenzamide is sourced from PubChem (CID 106134057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).