2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-6-nitrobenzamide

C13H15ClN2O4 — CID 63658968

IUPAC2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-6-nitrobenzamide
SMILESO=C(NC1(CO)CCCC1)c1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H15ClN2O4/c14-9-4-3-5-10(16(19)20)11(9)12(18)15-13(8-17)6-1-2-7-13/h3-5,17H,1-2,6-8H2,(H,15,18)
InChIKeyWTFTUYMHKRKSBA-UHFFFAOYSA-N
MW298.73 g/mol
LogP2.28
Rot. Bonds4

About 2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-6-nitrobenzamide

2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-6-nitrobenzamide (PubChem CID 63658968) has the molecular formula C13H15ClN2O4 and a molecular weight of 298.73 g/mol. Its IUPAC name is 2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-6-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-6-nitrobenzamide
PubChem CID63658968
Molecular FormulaC13H15ClN2O4
Molecular Weight298.73 g/mol
Exact Mass298.07
IUPAC Name2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-6-nitrobenzamide
SMILESO=C(NC1(CO)CCCC1)c1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H15ClN2O4/c14-9-4-3-5-10(16(19)20)11(9)12(18)15-13(8-17)6-1-2-7-13/h3-5,17H,1-2,6-8H2,(H,15,18)
InChIKeyWTFTUYMHKRKSBA-UHFFFAOYSA-N
XLogP2.28
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 52.28
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'}

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Related Compounds

2,6-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 62519426
2-[1-[[2-[(2-chloro-6-nitrobenzoyl)amino]acetyl]amino]cyclobutyl]acetic acid
CID 119217658
2,6-dichloro-N-[1-(chloromethyl)cyclopentyl]benzamide
CID 114300519
3-[(2-chloro-6-nitrobenzoyl)amino]oxolane-3-carboxylic acid
CID 64890571
2,3-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 55081718
N-[1-(hydroxymethyl)cyclobutyl]-3-nitrobenzamide
CID 115878142
2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]-6-nitrobenzoic acid
CID 103249236
N-[1-(hydroxymethyl)cyclohexyl]-2-(2-nitrophenyl)acetamide
CID 62521825
2-chloro-6-nitrobenzoic acid
CID 170923318
N-[1-(hydroxymethyl)cyclopentyl]-5-nitrothiophene-2-carboxamide
CID 55082053
4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-3-nitrobenzamide
CID 62517569
4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]-3-nitrobenzamide
CID 62520955

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-6-nitrobenzamide?
The IUPAC name of 2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-6-nitrobenzamide (CID 63658968) is 2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-6-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-6-nitrobenzamide?
The canonical SMILES for 2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-6-nitrobenzamide is O=C(NC1(CO)CCCC1)c1c(Cl)cccc1[N+](=O)[O-].
What is the InChIKey of 2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-6-nitrobenzamide?
The InChIKey is WTFTUYMHKRKSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O4/c14-9-4-3-5-10(16(19)20)11(9)12(18)15-13(8-17)6-1-2-7-13/h3-5,17H,1-2,6-8H2,(H,15,18).
What are the key properties of 2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-6-nitrobenzamide?
2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-6-nitrobenzamide has a molecular weight of 298.73 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(hydroxymethyl)cyclopentyl]-6-nitrobenzamide is sourced from PubChem (CID 63658968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).