N-(2-chloroethyl)-N-cyclobutyl-4-fluoro-2-methylbenzamide

C14H17ClFNO — CID 102872612

IUPACN-(2-chloroethyl)-N-cyclobutyl-4-fluoro-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)N(CCCl)C1CCC1
InChIInChI=1S/C14H17ClFNO/c1-10-9-11(16)5-6-13(10)14(18)17(8-7-15)12-3-2-4-12/h5-6,9,12H,2-4,7-8H2,1H3
InChIKeyYBLQJSPLIRTJAY-UHFFFAOYSA-N
MW269.75 g/mol
LogP3.37
Rot. Bonds4

About N-(2-chloroethyl)-N-cyclobutyl-4-fluoro-2-methylbenzamide

N-(2-chloroethyl)-N-cyclobutyl-4-fluoro-2-methylbenzamide (PubChem CID 102872612) has the molecular formula C14H17ClFNO and a molecular weight of 269.75 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclobutyl-4-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclobutyl-4-fluoro-2-methylbenzamide
PubChem CID102872612
Molecular FormulaC14H17ClFNO
Molecular Weight269.75 g/mol
Exact Mass269.10
IUPAC NameN-(2-chloroethyl)-N-cyclobutyl-4-fluoro-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)N(CCCl)C1CCC1
InChIInChI=1S/C14H17ClFNO/c1-10-9-11(16)5-6-13(10)14(18)17(8-7-15)12-3-2-4-12/h5-6,9,12H,2-4,7-8H2,1H3
InChIKeyYBLQJSPLIRTJAY-UHFFFAOYSA-N
XLogP3.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-cyclobutyl-4-fluoro-N,2-dimethylbenzamide
CID 115745905
N-(2-chloroethyl)-N-cyclohexyl-2,5-difluorobenzamide
CID 63391286
N-cycloheptyl-4-fluoro-N,2-dimethylbenzamide
CID 113268593
N-cyclopropyl-4-fluoro-N,2-dimethylbenzamide
CID 115745650
N-cyclobutyl-4-hydroxy-N-(2-hydroxyethyl)-2-methylbenzamide
CID 102685018
N-(cyclobutylmethyl)-4-fluoro-N,2-dimethylbenzamide
CID 115745878
4-fluoro-N,2-dimethyl-N-(3-methylcyclohexyl)benzamide
CID 112702414
N-cyclohexyl-4-hydroxy-N-(2-hydroxyethyl)-2-methylbenzamide
CID 107671574
N-(2-aminoethyl)-N-cyclopentyl-4-hydroxy-2-methylbenzamide
CID 107670547
N-(3-chloropropyl)-N-cyclobutyl-4-fluoro-2-nitrobenzamide
CID 102871842
N-(2-chloroethyl)-N-cyclopentyl-2,3-dimethylbenzamide
CID 63391726
N-(2-chloroethyl)-N-cyclohexyl-3-methylpyridine-4-carboxamide
CID 114278806

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclobutyl-4-fluoro-2-methylbenzamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclobutyl-4-fluoro-2-methylbenzamide (CID 102872612) is N-(2-chloroethyl)-N-cyclobutyl-4-fluoro-2-methylbenzamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclobutyl-4-fluoro-2-methylbenzamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclobutyl-4-fluoro-2-methylbenzamide is Cc1cc(F)ccc1C(=O)N(CCCl)C1CCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclobutyl-4-fluoro-2-methylbenzamide?
The InChIKey is YBLQJSPLIRTJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO/c1-10-9-11(16)5-6-13(10)14(18)17(8-7-15)12-3-2-4-12/h5-6,9,12H,2-4,7-8H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-cyclobutyl-4-fluoro-2-methylbenzamide?
N-(2-chloroethyl)-N-cyclobutyl-4-fluoro-2-methylbenzamide has a molecular weight of 269.75 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclobutyl-4-fluoro-2-methylbenzamide is sourced from PubChem (CID 102872612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).