4-chloro-N-cyclopentyl-3-fluoroaniline

C11H13ClFN — CID 43721398

IUPAC4-chloro-N-cyclopentyl-3-fluoroaniline
SMILESFc1cc(NC2CCCC2)ccc1Cl
InChIInChI=1S/C11H13ClFN/c12-10-6-5-9(7-11(10)13)14-8-3-1-2-4-8/h5-8,14H,1-4H2
InChIKeyUSUVEYYPGHPRPM-UHFFFAOYSA-N
MW213.68 g/mol
LogP3.83
Rot. Bonds2

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

4-chloro-N-cyclopentyl-3-fluoroaniline (PubChem CID 43721398) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is 4-chloro-N-cyclopentyl-3-fluoroaniline.

Molecular Properties

Compound Name4-chloro-N-cyclopentyl-3-fluoroaniline
PubChem CID43721398
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name4-chloro-N-cyclopentyl-3-fluoroaniline
SMILESFc1cc(NC2CCCC2)ccc1Cl
InChIInChI=1S/C11H13ClFN/c12-10-6-5-9(7-11(10)13)14-8-3-1-2-4-8/h5-8,14H,1-4H2
InChIKeyUSUVEYYPGHPRPM-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

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Related Compounds

3-chloro-N-cyclopentyl-4-fluoroaniline
CID 28938400
4-chloro-N-(3-cyclopropylcyclohexyl)-3-fluoroaniline
CID 64594863
N-(4-chloro-3-fluorophenyl)-1,1-dioxothian-4-amine
CID 43721635
N-(4-chloro-3-fluorophenyl)oxetan-3-amine
CID 63623661
1-(4-chloro-3-fluorophenyl)-3-cyclohexylthiourea
CID 115577568
1-N-cyclopentyl-4-fluorobenzene-1,3-diamine
CID 82933776
N-cyclopentyl-4-ethyl-3-fluoroaniline
CID 118342641
4-chloro-N-(1-cyclohexylethyl)-3-fluoroaniline
CID 43786160
N-(3-chloro-4-methylphenyl)cyclododecanamine
CID 63418759
tert-butyl 4-(4-chloro-3-fluoroanilino)azepane-1-carboxylate
CID 103981287
2-chloro-5-(cyclohexylamino)benzoic acid
CID 43736277
N-(3-fluoro-4-methoxyphenyl)cycloheptanamine
CID 43380636

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopentyl-3-fluoroaniline?
The IUPAC name of 4-chloro-N-cyclopentyl-3-fluoroaniline (CID 43721398) is 4-chloro-N-cyclopentyl-3-fluoroaniline.
What is the SMILES notation for 4-chloro-N-cyclopentyl-3-fluoroaniline?
The canonical SMILES for 4-chloro-N-cyclopentyl-3-fluoroaniline is Fc1cc(NC2CCCC2)ccc1Cl.
What is the InChIKey of 4-chloro-N-cyclopentyl-3-fluoroaniline?
The InChIKey is USUVEYYPGHPRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN/c12-10-6-5-9(7-11(10)13)14-8-3-1-2-4-8/h5-8,14H,1-4H2.
What are the key properties of 4-chloro-N-cyclopentyl-3-fluoroaniline?
4-chloro-N-cyclopentyl-3-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 4-chloro-N-cyclopentyl-3-fluoroaniline is sourced from PubChem (CID 43721398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).