[2-[(5-chloro-2-nitroanilino)methyl]cyclopentyl]methanol

C13H17ClN2O3 — CID 115469733

IUPAC[2-[(5-chloro-2-nitroanilino)methyl]cyclopentyl]methanol
SMILESO=[N+]([O-])c1ccc(Cl)cc1NCC1CCCC1CO
InChIInChI=1S/C13H17ClN2O3/c14-11-4-5-13(16(18)19)12(6-11)15-7-9-2-1-3-10(9)8-17/h4-6,9-10,15,17H,1-3,7-8H2
InChIKeyOFIFMVWXUJZOJW-UHFFFAOYSA-N
MW284.74 g/mol
LogP3.07
Rot. Bonds5

About [2-[(5-chloro-2-nitroanilino)methyl]cyclopentyl]methanol

[2-[(5-chloro-2-nitroanilino)methyl]cyclopentyl]methanol (PubChem CID 115469733) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is [2-[(5-chloro-2-nitroanilino)methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[(5-chloro-2-nitroanilino)methyl]cyclopentyl]methanol
PubChem CID115469733
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name[2-[(5-chloro-2-nitroanilino)methyl]cyclopentyl]methanol
SMILESO=[N+]([O-])c1ccc(Cl)cc1NCC1CCCC1CO
InChIInChI=1S/C13H17ClN2O3/c14-11-4-5-13(16(18)19)12(6-11)15-7-9-2-1-3-10(9)8-17/h4-6,9-10,15,17H,1-3,7-8H2
InChIKeyOFIFMVWXUJZOJW-UHFFFAOYSA-N
XLogP3.07
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 53.07
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-[(5-chloro-2-nitroanilino)methyl]cyclopentyl]methanol 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

[2-[(5-bromo-4-fluoro-2-nitroanilino)methyl]cyclopentyl]methanol
CID 116737220
5-chloro-2-nitro-N-(oxan-4-ylmethyl)aniline
CID 62386853
[2-[(3-iodo-4-nitroanilino)methyl]cyclopentyl]methanol
CID 106493289
3-[(5-chloro-2-nitroanilino)methyl]cyclopentan-1-ol
CID 114147125
5-chloro-2-nitro-N-(oxolan-2-ylmethyl)aniline
CID 2915714
5-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]-2-nitroaniline
CID 106026701
[2-[(2,6-dichloro-4-nitroanilino)methyl]cyclopentyl]methanol
CID 106891612
5-chloro-N-[(1-methylpiperidin-3-yl)methyl]-2-nitroaniline
CID 62656010
5-chloro-N-(3-cyclopentylpropyl)-2-nitroaniline
CID 106012727
4,5-dichloro-N-[(2-methylcyclopentyl)methyl]-2-nitroaniline
CID 107419088
N-(5-chloro-2-nitrophenyl)cycloheptanamine
CID 22922481
methyl 3-[(2-methoxycyclopentyl)methylamino]-4-nitrobenzoate
CID 135122899

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chloro-2-nitroanilino)methyl]cyclopentyl]methanol?
The IUPAC name of [2-[(5-chloro-2-nitroanilino)methyl]cyclopentyl]methanol (CID 115469733) is [2-[(5-chloro-2-nitroanilino)methyl]cyclopentyl]methanol.
What is the SMILES notation for [2-[(5-chloro-2-nitroanilino)methyl]cyclopentyl]methanol?
The canonical SMILES for [2-[(5-chloro-2-nitroanilino)methyl]cyclopentyl]methanol is O=[N+]([O-])c1ccc(Cl)cc1NCC1CCCC1CO.
What is the InChIKey of [2-[(5-chloro-2-nitroanilino)methyl]cyclopentyl]methanol?
The InChIKey is OFIFMVWXUJZOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c14-11-4-5-13(16(18)19)12(6-11)15-7-9-2-1-3-10(9)8-17/h4-6,9-10,15,17H,1-3,7-8H2.
What are the key properties of [2-[(5-chloro-2-nitroanilino)methyl]cyclopentyl]methanol?
[2-[(5-chloro-2-nitroanilino)methyl]cyclopentyl]methanol has a molecular weight of 284.74 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chloro-2-nitroanilino)methyl]cyclopentyl]methanol is sourced from PubChem (CID 115469733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).