N-[(4-chlorophenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide

C21H22ClNO3 — CID 55451108

IUPACN-[(4-chlorophenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1(c2ccc3c(c2)OCCO3)CCCC1
InChIInChI=1S/C21H22ClNO3/c22-17-6-3-15(4-7-17)14-23-20(24)21(9-1-2-10-21)16-5-8-18-19(13-16)26-12-11-25-18/h3-8,13H,1-2,9-12,14H2,(H,23,24)
InChIKeyVWAYAQBODDJQLL-UHFFFAOYSA-N
MW371.86 g/mol
LogP4.24
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide

N-[(4-chlorophenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide (PubChem CID 55451108) has the molecular formula C21H22ClNO3 and a molecular weight of 371.86 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide
PubChem CID55451108
Molecular FormulaC21H22ClNO3
Molecular Weight371.86 g/mol
Exact Mass371.13
IUPAC NameN-[(4-chlorophenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1(c2ccc3c(c2)OCCO3)CCCC1
InChIInChI=1S/C21H22ClNO3/c22-17-6-3-15(4-7-17)14-23-20(24)21(9-1-2-10-21)16-5-8-18-19(13-16)26-12-11-25-18/h3-8,13H,1-2,9-12,14H2,(H,23,24)
InChIKeyVWAYAQBODDJQLL-UHFFFAOYSA-N
XLogP4.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.86
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-chlorophenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide 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

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 113198650
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]cyclopentane-1-carboxamide
CID 55743758
1-(4-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclopentane-1-carboxamide
CID 46418726
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 113198645
N-[(4-chlorophenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 35571496
1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carbohydrazide
CID 116844402
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide
CID 39696834
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide
CID 55679093
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 39630812
N-(2-chlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide
CID 55451344
N-(3,5-dichlorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide
CID 113198788
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 113198614

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide (CID 55451108) is N-[(4-chlorophenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide is O=C(NCc1ccc(Cl)cc1)C1(c2ccc3c(c2)OCCO3)CCCC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide?
The InChIKey is VWAYAQBODDJQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClNO3/c22-17-6-3-15(4-7-17)14-23-20(24)21(9-1-2-10-21)16-5-8-18-19(13-16)26-12-11-25-18/h3-8,13H,1-2,9-12,14H2,(H,23,24).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide?
N-[(4-chlorophenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide has a molecular weight of 371.86 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 55451108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).