2-(2-chloro-4-nitroanilino)-1-cyclopropylethanol

C11H13ClN2O3 — CID 55218910

IUPAC2-(2-chloro-4-nitroanilino)-1-cyclopropylethanol
SMILESO=[N+]([O-])c1ccc(NCC(O)C2CC2)c(Cl)c1
InChIInChI=1S/C11H13ClN2O3/c12-9-5-8(14(16)17)3-4-10(9)13-6-11(15)7-1-2-7/h3-5,7,11,13,15H,1-2,6H2
InChIKeyWJNIOXWJYITCAM-UHFFFAOYSA-N
MW256.69 g/mol
LogP2.43
Rot. Bonds5

About 2-(2-chloro-4-nitroanilino)-1-cyclopropylethanol

2-(2-chloro-4-nitroanilino)-1-cyclopropylethanol (PubChem CID 55218910) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is 2-(2-chloro-4-nitroanilino)-1-cyclopropylethanol.

Molecular Properties

Compound Name2-(2-chloro-4-nitroanilino)-1-cyclopropylethanol
PubChem CID55218910
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name2-(2-chloro-4-nitroanilino)-1-cyclopropylethanol
SMILESO=[N+]([O-])c1ccc(NCC(O)C2CC2)c(Cl)c1
InChIInChI=1S/C11H13ClN2O3/c12-9-5-8(14(16)17)3-4-10(9)13-6-11(15)7-1-2-7/h3-5,7,11,13,15H,1-2,6H2
InChIKeyWJNIOXWJYITCAM-UHFFFAOYSA-N
XLogP2.43
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 52.43
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'}

Analyze 2-(2-chloro-4-nitroanilino)-1-cyclopropylethanol 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

(2S)-1-amino-3-(2-chloro-4-nitroanilino)propan-2-ol
CID 7104383
3-(2-chloro-4-nitrophenyl)-1-cyclopropylpropan-1-ol
CID 63354831
(2R)-3-(2-chloro-4-nitroanilino)-2-methylpropanenitrile
CID 95785203
N'-(2-chloro-4-nitrophenyl)-1-phenylethane-1,2-diamine
CID 63120881
3-[(2-chloro-4-nitroanilino)methyl]pentanoic acid
CID 81066254
2-chloro-4-nitro-N-(2-pyrrolidin-3-ylethyl)aniline
CID 63622331
(1R)-N'-(2-chloro-4-nitrophenyl)-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 7834758
1-[(2-chloro-4-nitroanilino)methyl]cyclopentan-1-ol
CID 61223689
1-(2-chloro-4-nitroanilino)-3-[2,6-dinitro-4-(trifluoromethyl)anilino]propan-2-ol
CID 3119339
2-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)-4-nitroaniline
CID 60967018
N-but-2-ynyl-2-chloro-4-nitroaniline
CID 115869271
N-(2-chloro-4-nitrophenyl)piperidin-4-amine
CID 43345822

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-nitroanilino)-1-cyclopropylethanol?
The IUPAC name of 2-(2-chloro-4-nitroanilino)-1-cyclopropylethanol (CID 55218910) is 2-(2-chloro-4-nitroanilino)-1-cyclopropylethanol.
What is the SMILES notation for 2-(2-chloro-4-nitroanilino)-1-cyclopropylethanol?
The canonical SMILES for 2-(2-chloro-4-nitroanilino)-1-cyclopropylethanol is O=[N+]([O-])c1ccc(NCC(O)C2CC2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-nitroanilino)-1-cyclopropylethanol?
The InChIKey is WJNIOXWJYITCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c12-9-5-8(14(16)17)3-4-10(9)13-6-11(15)7-1-2-7/h3-5,7,11,13,15H,1-2,6H2.
What are the key properties of 2-(2-chloro-4-nitroanilino)-1-cyclopropylethanol?
2-(2-chloro-4-nitroanilino)-1-cyclopropylethanol has a molecular weight of 256.69 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-nitroanilino)-1-cyclopropylethanol is sourced from PubChem (CID 55218910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).