5-chloro-N-(3-cyclopentylpropyl)-2-nitroaniline

C14H19ClN2O2 — CID 106012727

IUPAC5-chloro-N-(3-cyclopentylpropyl)-2-nitroaniline
SMILESO=[N+]([O-])c1ccc(Cl)cc1NCCCC1CCCC1
InChIInChI=1S/C14H19ClN2O2/c15-12-7-8-14(17(18)19)13(10-12)16-9-3-6-11-4-1-2-5-11/h7-8,10-11,16H,1-6,9H2
InChIKeyDZHOPFXSAICLRQ-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.63
Rot. Bonds6

About 5-chloro-N-(3-cyclopentylpropyl)-2-nitroaniline

5-chloro-N-(3-cyclopentylpropyl)-2-nitroaniline (PubChem CID 106012727) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 5-chloro-N-(3-cyclopentylpropyl)-2-nitroaniline.

Molecular Properties

Compound Name5-chloro-N-(3-cyclopentylpropyl)-2-nitroaniline
PubChem CID106012727
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name5-chloro-N-(3-cyclopentylpropyl)-2-nitroaniline
SMILESO=[N+]([O-])c1ccc(Cl)cc1NCCCC1CCCC1
InChIInChI=1S/C14H19ClN2O2/c15-12-7-8-14(17(18)19)13(10-12)16-9-3-6-11-4-1-2-5-11/h7-8,10-11,16H,1-6,9H2
InChIKeyDZHOPFXSAICLRQ-UHFFFAOYSA-N
XLogP4.63
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[3-(2-methylpiperidin-1-yl)propyl]-2-nitroaniline
CID 115469571
N-(2-cyclopentylethyl)-5-methoxy-2-nitroaniline
CID 79034338
4-(3-cyclopentylpropylamino)-3-nitrobenzaldehyde
CID 106012984
5-chloro-N-hexyl-2-nitroaniline
CID 43685977
N-[(5-chloro-2-nitrophenyl)methyl]-2-cyclopentylethanamine
CID 78998881
3-(2-cyclopentylethylamino)-4-nitrobenzoic acid
CID 82784160
5-chloro-2-nitro-N-(oxan-4-ylmethyl)aniline
CID 62386853
5-chloro-N-(5-methylhexyl)-2-nitroaniline
CID 113316036
3-(2-cyclohexylethylamino)-4-nitrobenzoic acid
CID 82770375
5-chloro-N-[(1-methylpiperidin-3-yl)methyl]-2-nitroaniline
CID 62656010
4-chloro-2-(3-cyclopropylpropylamino)benzonitrile
CID 115637534
N-(5-chloro-2-nitrophenyl)cycloheptanamine
CID 22922481

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-cyclopentylpropyl)-2-nitroaniline?
The IUPAC name of 5-chloro-N-(3-cyclopentylpropyl)-2-nitroaniline (CID 106012727) is 5-chloro-N-(3-cyclopentylpropyl)-2-nitroaniline.
What is the SMILES notation for 5-chloro-N-(3-cyclopentylpropyl)-2-nitroaniline?
The canonical SMILES for 5-chloro-N-(3-cyclopentylpropyl)-2-nitroaniline is O=[N+]([O-])c1ccc(Cl)cc1NCCCC1CCCC1.
What is the InChIKey of 5-chloro-N-(3-cyclopentylpropyl)-2-nitroaniline?
The InChIKey is DZHOPFXSAICLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c15-12-7-8-14(17(18)19)13(10-12)16-9-3-6-11-4-1-2-5-11/h7-8,10-11,16H,1-6,9H2.
What are the key properties of 5-chloro-N-(3-cyclopentylpropyl)-2-nitroaniline?
5-chloro-N-(3-cyclopentylpropyl)-2-nitroaniline has a molecular weight of 282.77 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-cyclopentylpropyl)-2-nitroaniline is sourced from PubChem (CID 106012727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).