4-amino-3,5-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide

C13H16Cl2N2O2 — CID 82833008

IUPAC4-amino-3,5-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
SMILESNc1c(Cl)cc(C(=O)NC2(CO)CCCC2)cc1Cl
InChIInChI=1S/C13H16Cl2N2O2/c14-9-5-8(6-10(15)11(9)16)12(19)17-13(7-18)3-1-2-4-13/h5-6,18H,1-4,7,16H2,(H,17,19)
InChIKeyMLIGZDLNXMZNOR-UHFFFAOYSA-N
MW303.19 g/mol
LogP2.61
Rot. Bonds3

About 4-amino-3,5-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide

4-amino-3,5-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide (PubChem CID 82833008) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
PubChem CID82833008
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC Name4-amino-3,5-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
SMILESNc1c(Cl)cc(C(=O)NC2(CO)CCCC2)cc1Cl
InChIInChI=1S/C13H16Cl2N2O2/c14-9-5-8(6-10(15)11(9)16)12(19)17-13(7-18)3-1-2-4-13/h5-6,18H,1-4,7,16H2,(H,17,19)
InChIKeyMLIGZDLNXMZNOR-UHFFFAOYSA-N
XLogP2.61
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3,5-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 82832457
3-chloro-5-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 122569574
3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 63186841
3-amino-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 55081511
3,4,5-trifluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 63186883
2,6-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 62519426
4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide
CID 115878155
1-[[(4-amino-3,5-dichlorobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 82833458
3-amino-4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 62524113
N-[1-(hydroxymethyl)cyclopentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 62518437
4-(chloromethyl)-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 55082146
2,4-dichloro-N-[1-(hydroxymethyl)cyclobutyl]benzamide
CID 115878522

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide (CID 82833008) is 4-amino-3,5-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide is Nc1c(Cl)cc(C(=O)NC2(CO)CCCC2)cc1Cl.
What is the InChIKey of 4-amino-3,5-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
The InChIKey is MLIGZDLNXMZNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c14-9-5-8(6-10(15)11(9)16)12(19)17-13(7-18)3-1-2-4-13/h5-6,18H,1-4,7,16H2,(H,17,19).
What are the key properties of 4-amino-3,5-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
4-amino-3,5-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide has a molecular weight of 303.19 g/mol, XLogP of 2.61, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide is sourced from PubChem (CID 82833008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).