4-(2-chloro-5-nitroanilino)cyclohexan-1-ol

C12H15ClN2O3 — CID 106593945

IUPAC4-(2-chloro-5-nitroanilino)cyclohexan-1-ol
SMILESO=[N+]([O-])c1ccc(Cl)c(NC2CCC(O)CC2)c1
InChIInChI=1S/C12H15ClN2O3/c13-11-6-3-9(15(17)18)7-12(11)14-8-1-4-10(16)5-2-8/h3,6-8,10,14,16H,1-2,4-5H2
InChIKeyGCVUJNAQKSFGTJ-UHFFFAOYSA-N
MW270.72 g/mol
LogP2.96
Rot. Bonds3

About 4-(2-chloro-5-nitroanilino)cyclohexan-1-ol

4-(2-chloro-5-nitroanilino)cyclohexan-1-ol (PubChem CID 106593945) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 4-(2-chloro-5-nitroanilino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(2-chloro-5-nitroanilino)cyclohexan-1-ol
PubChem CID106593945
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name4-(2-chloro-5-nitroanilino)cyclohexan-1-ol
SMILESO=[N+]([O-])c1ccc(Cl)c(NC2CCC(O)CC2)c1
InChIInChI=1S/C12H15ClN2O3/c13-11-6-3-9(15(17)18)7-12(11)14-8-1-4-10(16)5-2-8/h3,6-8,10,14,16H,1-2,4-5H2
InChIKeyGCVUJNAQKSFGTJ-UHFFFAOYSA-N
XLogP2.96
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-hydroxycyclohexyl)amino]-5-nitrobenzamide
CID 141015249
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4-chloro-3-[(4-hydroxycyclohexyl)amino]benzenesulfonamide
CID 106594205
2-chloro-N-(dicyclopropylmethyl)-5-nitroaniline
CID 43718933
N-(2-chloro-5-nitrophenyl)-5-methylthiolan-3-amine
CID 79942364
2-chloro-5-nitro-N-[3-(trifluoromethyl)cyclohexyl]aniline
CID 64758810
2-(cyclopropylamino)-4-nitrobenzonitrile
CID 171316320
N-(2-chloro-4-nitrophenyl)piperidin-4-amine
CID 43345822
N-(2-chloro-5-nitrophenyl)cyclopentanecarboxamide
CID 3328089
N-(2-chloro-5-nitrophenyl)-2-(cyclopentylamino)acetamide
CID 60648529
(2-chloro-5-nitrophenyl)sulfamic acid
CID 14912232
1-N-cyclopropyl-4-nitrobenzene-1,2-diamine
CID 46941382

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-nitroanilino)cyclohexan-1-ol?
The IUPAC name of 4-(2-chloro-5-nitroanilino)cyclohexan-1-ol (CID 106593945) is 4-(2-chloro-5-nitroanilino)cyclohexan-1-ol.
What is the SMILES notation for 4-(2-chloro-5-nitroanilino)cyclohexan-1-ol?
The canonical SMILES for 4-(2-chloro-5-nitroanilino)cyclohexan-1-ol is O=[N+]([O-])c1ccc(Cl)c(NC2CCC(O)CC2)c1.
What is the InChIKey of 4-(2-chloro-5-nitroanilino)cyclohexan-1-ol?
The InChIKey is GCVUJNAQKSFGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c13-11-6-3-9(15(17)18)7-12(11)14-8-1-4-10(16)5-2-8/h3,6-8,10,14,16H,1-2,4-5H2.
What are the key properties of 4-(2-chloro-5-nitroanilino)cyclohexan-1-ol?
4-(2-chloro-5-nitroanilino)cyclohexan-1-ol has a molecular weight of 270.72 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-nitroanilino)cyclohexan-1-ol is sourced from PubChem (CID 106593945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).