2-[4-(5-chloro-2-nitroanilino)phenyl]ethanol

C14H13ClN2O3 — CID 67099078

IUPAC2-[4-(5-chloro-2-nitroanilino)phenyl]ethanol
SMILESO=[N+]([O-])c1ccc(Cl)cc1Nc1ccc(CCO)cc1
InChIInChI=1S/C14H13ClN2O3/c15-11-3-6-14(17(19)20)13(9-11)16-12-4-1-10(2-5-12)7-8-18/h1-6,9,16,18H,7-8H2
InChIKeyMBPQGBQDSHDJDG-UHFFFAOYSA-N
MW292.72 g/mol
LogP3.53
Rot. Bonds5

About 2-[4-(5-chloro-2-nitroanilino)phenyl]ethanol

2-[4-(5-chloro-2-nitroanilino)phenyl]ethanol (PubChem CID 67099078) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-nitroanilino)phenyl]ethanol.

Molecular Properties

Compound Name2-[4-(5-chloro-2-nitroanilino)phenyl]ethanol
PubChem CID67099078
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name2-[4-(5-chloro-2-nitroanilino)phenyl]ethanol
SMILESO=[N+]([O-])c1ccc(Cl)cc1Nc1ccc(CCO)cc1
InChIInChI=1S/C14H13ClN2O3/c15-11-3-6-14(17(19)20)13(9-11)16-12-4-1-10(2-5-12)7-8-18/h1-6,9,16,18H,7-8H2
InChIKeyMBPQGBQDSHDJDG-UHFFFAOYSA-N
XLogP3.53
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 53.53
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

4-N-(5-chloro-2-nitrophenyl)benzene-1,4-diamine
CID 21327747
N-[4-(5-chloro-2-nitroanilino)phenyl]acetamide
CID 71236809
N-[[4-(2-aminoethyl)phenyl]methyl]-5-chloro-2-nitroaniline
CID 115471828
4-[4-(2-hydroxyethyl)anilino]-N,N-dimethyl-3-nitrobenzamide
CID 141052734
4-[(5-chloro-2-nitroanilino)methyl]phenol
CID 43685982
2-(4-fluoro-3-nitrophenyl)ethanol
CID 11252405
N-bromo-5-chloro-2-nitroaniline
CID 150892624
5-chloro-2-nitro-N-(2-pyridin-4-ylethyl)aniline
CID 115469594
5-chloro-N-[2-(4-methoxyphenyl)ethyl]-2-nitroaniline
CID 115469569
5-chloro-N-[4-(2-hydroxyethyl)phenyl]-2,4-dinitrobenzamide
CID 150145724
1,2-dihydroxy-4-[4-(2-hydroxyethyl)anilino]-5-nitroanthracene-9,10-dione
CID 174817201
N-(5-chloro-2-nitrophenyl)-6-propoxypyridin-3-amine
CID 172633062

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-nitroanilino)phenyl]ethanol?
The IUPAC name of 2-[4-(5-chloro-2-nitroanilino)phenyl]ethanol (CID 67099078) is 2-[4-(5-chloro-2-nitroanilino)phenyl]ethanol.
What is the SMILES notation for 2-[4-(5-chloro-2-nitroanilino)phenyl]ethanol?
The canonical SMILES for 2-[4-(5-chloro-2-nitroanilino)phenyl]ethanol is O=[N+]([O-])c1ccc(Cl)cc1Nc1ccc(CCO)cc1.
What is the InChIKey of 2-[4-(5-chloro-2-nitroanilino)phenyl]ethanol?
The InChIKey is MBPQGBQDSHDJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c15-11-3-6-14(17(19)20)13(9-11)16-12-4-1-10(2-5-12)7-8-18/h1-6,9,16,18H,7-8H2.
What are the key properties of 2-[4-(5-chloro-2-nitroanilino)phenyl]ethanol?
2-[4-(5-chloro-2-nitroanilino)phenyl]ethanol has a molecular weight of 292.72 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-nitroanilino)phenyl]ethanol is sourced from PubChem (CID 67099078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).