3-chloro-4-cyclopentyloxy-N-(diaminomethylidene)benzamide;hydrochloride

C13H17Cl2N3O2 — CID 23195924

IUPAC3-chloro-4-cyclopentyloxy-N-(diaminomethylidene)benzamide;hydrochloride
SMILESCl.NC(N)=NC(=O)c1ccc(OC2CCCC2)c(Cl)c1
InChIInChI=1S/C13H16ClN3O2.ClH/c14-10-7-8(12(18)17-13(15)16)5-6-11(10)19-9-3-1-2-4-9;/h5-7,9H,1-4H2,(H4,15,16,17,18);1H
InChIKeyORRYCSWETQXYQB-UHFFFAOYSA-N
MW318.20 g/mol
LogP2.50
Rot. Bonds3

About 3-chloro-4-cyclopentyloxy-N-(diaminomethylidene)benzamide;hydrochloride

3-chloro-4-cyclopentyloxy-N-(diaminomethylidene)benzamide;hydrochloride (PubChem CID 23195924) has the molecular formula C13H17Cl2N3O2 and a molecular weight of 318.20 g/mol. Its IUPAC name is 3-chloro-4-cyclopentyloxy-N-(diaminomethylidene)benzamide;hydrochloride.

Molecular Properties

Compound Name3-chloro-4-cyclopentyloxy-N-(diaminomethylidene)benzamide;hydrochloride
PubChem CID23195924
Molecular FormulaC13H17Cl2N3O2
Molecular Weight318.20 g/mol
Exact Mass317.07
IUPAC Name3-chloro-4-cyclopentyloxy-N-(diaminomethylidene)benzamide;hydrochloride
SMILESCl.NC(N)=NC(=O)c1ccc(OC2CCCC2)c(Cl)c1
InChIInChI=1S/C13H16ClN3O2.ClH/c14-10-7-8(12(18)17-13(15)16)5-6-11(10)19-9-3-1-2-4-9;/h5-7,9H,1-4H2,(H4,15,16,17,18);1H
InChIKeyORRYCSWETQXYQB-UHFFFAOYSA-N
XLogP2.50
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-chloro-4-cyclopentyloxy-N-(diaminomethylidene)benzamide;hydrochloride 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

3-amino-1-(3-chloro-4-cyclopentyloxyphenyl)propan-1-one
CID 117423149
ethyl 2-(3-chloro-4-cyclopropyloxyphenyl)-2-oxoacetate
CID 117425135
1-(3-chloro-4-piperidin-4-yloxyphenyl)ethanone
CID 20735197
(2R)-2-amino-N-(3-chloro-4-cyclopentyloxyphenyl)propanamide;hydrochloride
CID 119302889
2-[3-chloro-4-(4,4-difluorocyclohexyl)oxyphenyl]prop-2-enamide
CID 154632573
3-chloro-4-cyclopropyloxybenzoic acid;ethyl 3-chloro-4-cyclopropyloxybenzoate
CID 161018051
1-(3-chloro-4-cyclopentyloxyphenyl)cyclopentane-1-carboxylic acid
CID 117493650
(1S)-1-(3-chloro-4-cyclopentyloxyphenyl)ethanamine
CID 78937707
2-[1-(3-chloro-4-cyclobutyloxyphenyl)cyclopropyl]acetic acid
CID 117450821
3-amino-3-(3-chloro-4-cyclobutyloxyphenyl)propanoic acid
CID 117427330
2-amino-N-(3-chloro-4-cyclopentyloxyphenyl)-3-methoxypropanamide;hydrochloride
CID 120987263
3-chloro-4-cyclopentyloxybenzonitrile
CID 58439107

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-cyclopentyloxy-N-(diaminomethylidene)benzamide;hydrochloride?
The IUPAC name of 3-chloro-4-cyclopentyloxy-N-(diaminomethylidene)benzamide;hydrochloride (CID 23195924) is 3-chloro-4-cyclopentyloxy-N-(diaminomethylidene)benzamide;hydrochloride.
What is the SMILES notation for 3-chloro-4-cyclopentyloxy-N-(diaminomethylidene)benzamide;hydrochloride?
The canonical SMILES for 3-chloro-4-cyclopentyloxy-N-(diaminomethylidene)benzamide;hydrochloride is Cl.NC(N)=NC(=O)c1ccc(OC2CCCC2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-cyclopentyloxy-N-(diaminomethylidene)benzamide;hydrochloride?
The InChIKey is ORRYCSWETQXYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2.ClH/c14-10-7-8(12(18)17-13(15)16)5-6-11(10)19-9-3-1-2-4-9;/h5-7,9H,1-4H2,(H4,15,16,17,18);1H.
What are the key properties of 3-chloro-4-cyclopentyloxy-N-(diaminomethylidene)benzamide;hydrochloride?
3-chloro-4-cyclopentyloxy-N-(diaminomethylidene)benzamide;hydrochloride has a molecular weight of 318.20 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-cyclopentyloxy-N-(diaminomethylidene)benzamide;hydrochloride is sourced from PubChem (CID 23195924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).