5-(4,5-dichloro-2-nitroanilino)pentan-1-ol

C11H14Cl2N2O3 — CID 107318103

IUPAC5-(4,5-dichloro-2-nitroanilino)pentan-1-ol
SMILESO=[N+]([O-])c1cc(Cl)c(Cl)cc1NCCCCCO
InChIInChI=1S/C11H14Cl2N2O3/c12-8-6-10(14-4-2-1-3-5-16)11(15(17)18)7-9(8)13/h6-7,14,16H,1-5H2
InChIKeyBCJYRZWCCRTOQR-UHFFFAOYSA-N
MW293.15 g/mol
LogP3.48
Rot. Bonds7

About 5-(4,5-dichloro-2-nitroanilino)pentan-1-ol

5-(4,5-dichloro-2-nitroanilino)pentan-1-ol (PubChem CID 107318103) has the molecular formula C11H14Cl2N2O3 and a molecular weight of 293.15 g/mol. Its IUPAC name is 5-(4,5-dichloro-2-nitroanilino)pentan-1-ol.

Molecular Properties

Compound Name5-(4,5-dichloro-2-nitroanilino)pentan-1-ol
PubChem CID107318103
Molecular FormulaC11H14Cl2N2O3
Molecular Weight293.15 g/mol
Exact Mass292.04
IUPAC Name5-(4,5-dichloro-2-nitroanilino)pentan-1-ol
SMILESO=[N+]([O-])c1cc(Cl)c(Cl)cc1NCCCCCO
InChIInChI=1S/C11H14Cl2N2O3/c12-8-6-10(14-4-2-1-3-5-16)11(15(17)18)7-9(8)13/h6-7,14,16H,1-5H2
InChIKeyBCJYRZWCCRTOQR-UHFFFAOYSA-N
XLogP3.48
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze 5-(4,5-dichloro-2-nitroanilino)pentan-1-ol 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

N,N'-bis(4,5-dichloro-2-nitrophenyl)ethane-1,2-diamine
CID 91716539
4,5-dichloro-N-(5-methylhexyl)-2-nitroaniline
CID 115326215
5-(4,5-dimethoxy-2-nitroanilino)pentan-1-ol
CID 107302435
4,5-dichloro-2-nitro-N-(4,4,4-trifluorobutyl)aniline
CID 115520545
5-(5-bromo-4-methyl-2-nitroanilino)pentan-1-ol
CID 176824039
3-(4,5-dimethyl-2-nitroanilino)propan-1-ol
CID 163261578
5-(5-methoxy-2-nitroanilino)pentan-1-ol
CID 107302413
N'-(4-chloro-5-fluoro-2-nitrophenyl)butane-1,4-diamine
CID 66079116
5-(2-chloro-6-nitroanilino)pentan-1-ol
CID 107318138
4-[(5-chloro-3-nitro-2-pyridinyl)amino]butan-1-ol
CID 106842697
6-[(2-methyl-6-nitro-1,3-benzothiazol-5-yl)amino]hexan-1-ol
CID 107849026
5-[5-chloro-3-(hexylamino)-2-nitroanilino]pentan-1-ol
CID 159653172

Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dichloro-2-nitroanilino)pentan-1-ol?
The IUPAC name of 5-(4,5-dichloro-2-nitroanilino)pentan-1-ol (CID 107318103) is 5-(4,5-dichloro-2-nitroanilino)pentan-1-ol.
What is the SMILES notation for 5-(4,5-dichloro-2-nitroanilino)pentan-1-ol?
The canonical SMILES for 5-(4,5-dichloro-2-nitroanilino)pentan-1-ol is O=[N+]([O-])c1cc(Cl)c(Cl)cc1NCCCCCO.
What is the InChIKey of 5-(4,5-dichloro-2-nitroanilino)pentan-1-ol?
The InChIKey is BCJYRZWCCRTOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O3/c12-8-6-10(14-4-2-1-3-5-16)11(15(17)18)7-9(8)13/h6-7,14,16H,1-5H2.
What are the key properties of 5-(4,5-dichloro-2-nitroanilino)pentan-1-ol?
5-(4,5-dichloro-2-nitroanilino)pentan-1-ol has a molecular weight of 293.15 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dichloro-2-nitroanilino)pentan-1-ol is sourced from PubChem (CID 107318103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).