3-chloro-N-cyclopentyl-4-fluoroaniline

C11H13ClFN — CID 28938400

IUPAC3-chloro-N-cyclopentyl-4-fluoroaniline
SMILESFc1ccc(NC2CCCC2)cc1Cl
InChIInChI=1S/C11H13ClFN/c12-10-7-9(5-6-11(10)13)14-8-3-1-2-4-8/h5-8,14H,1-4H2
InChIKeyKGOUTQPZGNBBRD-UHFFFAOYSA-N
MW213.68 g/mol
LogP3.83
Rot. Bonds2

About 3-chloro-N-cyclopentyl-4-fluoroaniline

3-chloro-N-cyclopentyl-4-fluoroaniline (PubChem CID 28938400) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is 3-chloro-N-cyclopentyl-4-fluoroaniline.

Molecular Properties

Compound Name3-chloro-N-cyclopentyl-4-fluoroaniline
PubChem CID28938400
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name3-chloro-N-cyclopentyl-4-fluoroaniline
SMILESFc1ccc(NC2CCCC2)cc1Cl
InChIInChI=1S/C11H13ClFN/c12-10-7-9(5-6-11(10)13)14-8-3-1-2-4-8/h5-8,14H,1-4H2
InChIKeyKGOUTQPZGNBBRD-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.68
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-chloro-N-cyclopentyl-4-fluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-cyclopentyl-3-fluoroaniline
CID 43721398
N-(3-chloro-4-fluorophenyl)spiro[4.5]decan-8-amine
CID 114817207
N-(3-chloro-4-fluorophenyl)-1,1-dioxothian-4-amine
CID 43511704
3-chloro-N-(2-cyclohexylcyclohexyl)-4-fluoroaniline
CID 63421987
1-N-cyclopentyl-4-fluorobenzene-1,3-diamine
CID 82933776
N-(3-chloro-4-methylphenyl)cyclododecanamine
CID 63418759
5-chloro-N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1H-inden-2-amine
CID 115348720
6-N-(3-chloro-4-fluorophenyl)-4-N-cyclohexylpyrimidine-4,5,6-triamine
CID 19135885
1-(3-chloro-4-fluorophenyl)-3-cyclopentylthiourea
CID 2105676
3-chloro-4-fluoro-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline
CID 63422035
N-[4-fluoro-3-(trifluoromethyl)phenyl]cycloheptanamine
CID 63453853
1-(3-chloro-4-fluorophenyl)-3-cycloheptylthiourea
CID 8669396

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopentyl-4-fluoroaniline?
The IUPAC name of 3-chloro-N-cyclopentyl-4-fluoroaniline (CID 28938400) is 3-chloro-N-cyclopentyl-4-fluoroaniline.
What is the SMILES notation for 3-chloro-N-cyclopentyl-4-fluoroaniline?
The canonical SMILES for 3-chloro-N-cyclopentyl-4-fluoroaniline is Fc1ccc(NC2CCCC2)cc1Cl.
What is the InChIKey of 3-chloro-N-cyclopentyl-4-fluoroaniline?
The InChIKey is KGOUTQPZGNBBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN/c12-10-7-9(5-6-11(10)13)14-8-3-1-2-4-8/h5-8,14H,1-4H2.
What are the key properties of 3-chloro-N-cyclopentyl-4-fluoroaniline?
3-chloro-N-cyclopentyl-4-fluoroaniline has a molecular weight of 213.68 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopentyl-4-fluoroaniline is sourced from PubChem (CID 28938400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).