3-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbenzamide;hydrochloride

C20H23ClN2O2 — CID 119815673

IUPAC3-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbenzamide;hydrochloride
SMILESCl.Nc1cccc(C(=O)NC2CC3(CCCC3)Oc3ccccc32)c1
InChIInChI=1S/C20H22N2O2.ClH/c21-15-7-5-6-14(12-15)19(23)22-17-13-20(10-3-4-11-20)24-18-9-2-1-8-16(17)18;/h1-2,5-9,12,17H,3-4,10-11,13,21H2,(H,22,23);1H
InChIKeyZELPKSIZFWPQDD-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.26
Rot. Bonds2

About 3-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbenzamide;hydrochloride

3-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbenzamide;hydrochloride (PubChem CID 119815673) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 3-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbenzamide;hydrochloride
PubChem CID119815673
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name3-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbenzamide;hydrochloride
SMILESCl.Nc1cccc(C(=O)NC2CC3(CCCC3)Oc3ccccc32)c1
InChIInChI=1S/C20H22N2O2.ClH/c21-15-7-5-6-14(12-15)19(23)22-17-13-20(10-3-4-11-20)24-18-9-2-1-8-16(17)18;/h1-2,5-9,12,17H,3-4,10-11,13,21H2,(H,22,23);1H
InChIKeyZELPKSIZFWPQDD-UHFFFAOYSA-N
XLogP4.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbenzamide;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

N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyridine-3-carboxamide
CID 100628157
3-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylpropanamide;hydrochloride
CID 119341948
1-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylcyclopentane-1-carboxamide
CID 119341963
(2S)-2-amino-3-methyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide
CID 119341975
2-hydroxy-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylacetamide
CID 86285388
2-hydroxy-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]acetamide
CID 99974584
2-amino-4-methyl-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyrimidine-5-carboxamide
CID 99934057
(2R)-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]oxolane-2-carboxamide
CID 51494028
3-amino-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)benzamide;hydrochloride
CID 119758396
3-amino-2-methyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide
CID 120502115
N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yloxolane-2-carboxamide
CID 46958893
1-propyl-3-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylurea
CID 126468272

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbenzamide;hydrochloride?
The IUPAC name of 3-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbenzamide;hydrochloride (CID 119815673) is 3-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbenzamide;hydrochloride.
What is the SMILES notation for 3-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbenzamide;hydrochloride?
The canonical SMILES for 3-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbenzamide;hydrochloride is Cl.Nc1cccc(C(=O)NC2CC3(CCCC3)Oc3ccccc32)c1.
What is the InChIKey of 3-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbenzamide;hydrochloride?
The InChIKey is ZELPKSIZFWPQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2.ClH/c21-15-7-5-6-14(12-15)19(23)22-17-13-20(10-3-4-11-20)24-18-9-2-1-8-16(17)18;/h1-2,5-9,12,17H,3-4,10-11,13,21H2,(H,22,23);1H.
What are the key properties of 3-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbenzamide;hydrochloride?
3-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbenzamide;hydrochloride has a molecular weight of 358.87 g/mol, XLogP of 4.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 119815673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).