2-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-nitrobenzamide

C14H17ClN2O4 — CID 115359343

IUPAC2-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-nitrobenzamide
SMILESO=C(NCC1(CO)CCCC1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C14H17ClN2O4/c15-12-7-10(17(20)21)3-4-11(12)13(19)16-8-14(9-18)5-1-2-6-14/h3-4,7,18H,1-2,5-6,8-9H2,(H,16,19)
InChIKeyIBNPZRKXCYQTMV-UHFFFAOYSA-N
MW312.75 g/mol
LogP2.53
Rot. Bonds5

About 2-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-nitrobenzamide

2-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-nitrobenzamide (PubChem CID 115359343) has the molecular formula C14H17ClN2O4 and a molecular weight of 312.75 g/mol. Its IUPAC name is 2-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-nitrobenzamide
PubChem CID115359343
Molecular FormulaC14H17ClN2O4
Molecular Weight312.75 g/mol
Exact Mass312.09
IUPAC Name2-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-nitrobenzamide
SMILESO=C(NCC1(CO)CCCC1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C14H17ClN2O4/c15-12-7-10(17(20)21)3-4-11(12)13(19)16-8-14(9-18)5-1-2-6-14/h3-4,7,18H,1-2,5-6,8-9H2,(H,16,19)
InChIKeyIBNPZRKXCYQTMV-UHFFFAOYSA-N
XLogP2.53
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 52.53
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-chloro-N-[(1-methylcyclohexyl)methyl]-4-nitrobenzamide
CID 103753304
2-chloro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-nitrobenzamide
CID 103801673
2-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-4-nitrobenzamide
CID 79037452
2-chloro-N-[(1-methylcyclopentyl)methyl]-5-nitrobenzamide
CID 63821949
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 115362145
2-chloro-N-(6-hydroxyhexyl)-4-nitrobenzamide
CID 103919226
3-[(2-chloro-4-nitrobenzoyl)amino]-2-hydroxypropanoic acid
CID 66165217
4-chloro-2-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115362566
N-[2-(carbamoylamino)ethyl]-2-chloro-4-nitrobenzamide
CID 78993882
2-chloro-N-[2-(methylamino)ethyl]-4-nitrobenzamide
CID 119501030
5-amino-2-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357710
[1-[[(2-chloro-4-nitrophenyl)methylamino]methyl]cyclopropyl]methanol
CID 115454769

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-nitrobenzamide?
The IUPAC name of 2-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-nitrobenzamide (CID 115359343) is 2-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-nitrobenzamide?
The canonical SMILES for 2-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-nitrobenzamide is O=C(NCC1(CO)CCCC1)c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-nitrobenzamide?
The InChIKey is IBNPZRKXCYQTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O4/c15-12-7-10(17(20)21)3-4-11(12)13(19)16-8-14(9-18)5-1-2-6-14/h3-4,7,18H,1-2,5-6,8-9H2,(H,16,19).
What are the key properties of 2-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-nitrobenzamide?
2-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-nitrobenzamide has a molecular weight of 312.75 g/mol, XLogP of 2.53, 5 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]methyl]-4-nitrobenzamide is sourced from PubChem (CID 115359343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).