4-(chloromethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]benzamide

C14H18ClNOS — CID 114115852

IUPAC4-(chloromethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]benzamide
SMILESCSC1(CNC(=O)c2ccc(CCl)cc2)CCC1
InChIInChI=1S/C14H18ClNOS/c1-18-14(7-2-8-14)10-16-13(17)12-5-3-11(9-15)4-6-12/h3-6H,2,7-10H2,1H3,(H,16,17)
InChIKeyRXXFGEKYCPESRI-UHFFFAOYSA-N
MW283.82 g/mol
LogP3.44
Rot. Bonds5

About 4-(chloromethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]benzamide

4-(chloromethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]benzamide (PubChem CID 114115852) has the molecular formula C14H18ClNOS and a molecular weight of 283.82 g/mol. Its IUPAC name is 4-(chloromethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]benzamide.

Molecular Properties

Compound Name4-(chloromethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]benzamide
PubChem CID114115852
Molecular FormulaC14H18ClNOS
Molecular Weight283.82 g/mol
Exact Mass283.08
IUPAC Name4-(chloromethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]benzamide
SMILESCSC1(CNC(=O)c2ccc(CCl)cc2)CCC1
InChIInChI=1S/C14H18ClNOS/c1-18-14(7-2-8-14)10-16-13(17)12-5-3-11(9-15)4-6-12/h3-6H,2,7-10H2,1H3,(H,16,17)
InChIKeyRXXFGEKYCPESRI-UHFFFAOYSA-N
XLogP3.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-N-[(1-methylsulfanylcyclopentyl)methyl]benzamide
CID 114115857
4-(2-aminoethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzamide
CID 114115971
4-(chloromethyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 61251736
N-[(1-methylsulfanylcyclobutyl)methyl]-1H-indole-5-carboxamide
CID 107271586
2,6-dichloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-4-carboxamide
CID 107271725
N-[(1-methylsulfanylcyclopentyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 114117445
5-[(1-methylsulfanylcyclobutyl)methylcarbamoyl]furan-3-carboxylic acid
CID 114117425
5-bromo-N-[(1-methylsulfanylcyclobutyl)methyl]thiophene-2-carboxamide
CID 107271657
5-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazine-2-carboxamide
CID 107329698
1-hydroxy-N-[(1-methylsulfanylcyclobutyl)methyl]naphthalene-2-carboxamide
CID 107299334
N-[(1-methylsulfanylcyclobutyl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 114117442
2-amino-3-fluoro-N-[(1-methylsulfanylcyclobutyl)methyl]benzamide
CID 114116099

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]benzamide?
The IUPAC name of 4-(chloromethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]benzamide (CID 114115852) is 4-(chloromethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]benzamide.
What is the SMILES notation for 4-(chloromethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]benzamide?
The canonical SMILES for 4-(chloromethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]benzamide is CSC1(CNC(=O)c2ccc(CCl)cc2)CCC1.
What is the InChIKey of 4-(chloromethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]benzamide?
The InChIKey is RXXFGEKYCPESRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNOS/c1-18-14(7-2-8-14)10-16-13(17)12-5-3-11(9-15)4-6-12/h3-6H,2,7-10H2,1H3,(H,16,17).
What are the key properties of 4-(chloromethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]benzamide?
4-(chloromethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]benzamide has a molecular weight of 283.82 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-[(1-methylsulfanylcyclobutyl)methyl]benzamide is sourced from PubChem (CID 114115852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).