3-chloro-N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzamide

C13H15ClN2O4 — CID 103280755

IUPAC3-chloro-N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzamide
SMILESO=C(NCC1CCC(O)C1)c1cccc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C13H15ClN2O4/c14-11-3-1-2-10(12(11)16(19)20)13(18)15-7-8-4-5-9(17)6-8/h1-3,8-9,17H,4-7H2,(H,15,18)
InChIKeyZFEKDVFCSFHKKK-UHFFFAOYSA-N
MW298.73 g/mol
LogP2.14
Rot. Bonds4

About 3-chloro-N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzamide

3-chloro-N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzamide (PubChem CID 103280755) has the molecular formula C13H15ClN2O4 and a molecular weight of 298.73 g/mol. Its IUPAC name is 3-chloro-N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzamide.

Molecular Properties

Compound Name3-chloro-N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzamide
PubChem CID103280755
Molecular FormulaC13H15ClN2O4
Molecular Weight298.73 g/mol
Exact Mass298.07
IUPAC Name3-chloro-N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzamide
SMILESO=C(NCC1CCC(O)C1)c1cccc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C13H15ClN2O4/c14-11-3-1-2-10(12(11)16(19)20)13(18)15-7-8-4-5-9(17)6-8/h1-3,8-9,17H,4-7H2,(H,15,18)
InChIKeyZFEKDVFCSFHKKK-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
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

N-[(3-hydroxycyclopentyl)methyl]-3-methyl-2-nitrobenzamide
CID 103280585
3-chloro-N-(cyclobutylmethyl)-2-nitrobenzamide
CID 79831189
N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzamide
CID 103280198
3-[(3-chloro-2-nitroanilino)methyl]cyclopentan-1-ol
CID 106127905
N-[(3-hydroxycyclohexyl)methyl]-2-nitrobenzamide
CID 103691205
3-chloro-N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-nitrobenzamide
CID 115541164
3-chloro-N-(1,4-dithian-2-ylmethyl)-2-nitrobenzamide
CID 115686974
5-bromo-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 103280349
4-bromo-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 103279853
4-amino-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 106118704
2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide
CID 106126358
2-chloro-N-[(4-hydroxycyclohexyl)methyl]-4-nitrobenzamide
CID 106122720

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzamide?
The IUPAC name of 3-chloro-N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzamide (CID 103280755) is 3-chloro-N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzamide.
What is the SMILES notation for 3-chloro-N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzamide?
The canonical SMILES for 3-chloro-N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzamide is O=C(NCC1CCC(O)C1)c1cccc(Cl)c1[N+](=O)[O-].
What is the InChIKey of 3-chloro-N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzamide?
The InChIKey is ZFEKDVFCSFHKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O4/c14-11-3-1-2-10(12(11)16(19)20)13(18)15-7-8-4-5-9(17)6-8/h1-3,8-9,17H,4-7H2,(H,15,18).
What are the key properties of 3-chloro-N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzamide?
3-chloro-N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzamide has a molecular weight of 298.73 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzamide is sourced from PubChem (CID 103280755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).