N-[(2-chloro-5-nitrophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide

C15H19ClN2O4 — CID 111430478

IUPACN-[(2-chloro-5-nitrophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide
SMILESCN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CC1(O)CCCC1
InChIInChI=1S/C15H19ClN2O4/c1-17(14(19)9-15(20)6-2-3-7-15)10-11-8-12(18(21)22)4-5-13(11)16/h4-5,8,20H,2-3,6-7,9-10H2,1H3
InChIKeyOCOOESALLRKGAF-UHFFFAOYSA-N
MW326.78 g/mol
LogP2.90
Rot. Bonds5

About N-[(2-chloro-5-nitrophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide

N-[(2-chloro-5-nitrophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide (PubChem CID 111430478) has the molecular formula C15H19ClN2O4 and a molecular weight of 326.78 g/mol. Its IUPAC name is N-[(2-chloro-5-nitrophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(2-chloro-5-nitrophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide
PubChem CID111430478
Molecular FormulaC15H19ClN2O4
Molecular Weight326.78 g/mol
Exact Mass326.10
IUPAC NameN-[(2-chloro-5-nitrophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide
SMILESCN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CC1(O)CCCC1
InChIInChI=1S/C15H19ClN2O4/c1-17(14(19)9-15(20)6-2-3-7-15)10-11-8-12(18(21)22)4-5-13(11)16/h4-5,8,20H,2-3,6-7,9-10H2,1H3
InChIKeyOCOOESALLRKGAF-UHFFFAOYSA-N
XLogP2.90
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 52.90
H-Bond Donors ≤ 51
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'}

Analyze N-[(2-chloro-5-nitrophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide 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

N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119696306
2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 43216548
2-[(2-chloro-5-nitrophenyl)methyl-methylamino]ethanol
CID 60960383
N-[(2-chloro-5-nitrophenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide
CID 51298232
2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N,N-diethylacetamide
CID 60704014
2-amino-N-[(2-chloro-5-nitrophenyl)methyl]-N,3-dimethylpentanamide
CID 119696303
N-[(2-chloro-5-nitrophenyl)methyl]-N,5-dimethylfuran-2-carboxamide
CID 51298848
N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-4-methylsulfanylbenzamide
CID 86914869
5-acetamido-N-[(2-chloro-5-nitrophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 18144110
2-(3-acetylphenoxy)-N-[(2-chloro-5-nitrophenyl)methyl]-N-methylacetamide
CID 86912235
N-[(2-chloro-5-nitrophenyl)methyl]-2,4,5-trimethoxy-N-methylbenzamide
CID 71901006
N-[(2-chloro-5-nitrophenyl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 51298851

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-nitrophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide?
The IUPAC name of N-[(2-chloro-5-nitrophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide (CID 111430478) is N-[(2-chloro-5-nitrophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide.
What is the SMILES notation for N-[(2-chloro-5-nitrophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide?
The canonical SMILES for N-[(2-chloro-5-nitrophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide is CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CC1(O)CCCC1.
What is the InChIKey of N-[(2-chloro-5-nitrophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide?
The InChIKey is OCOOESALLRKGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O4/c1-17(14(19)9-15(20)6-2-3-7-15)10-11-8-12(18(21)22)4-5-13(11)16/h4-5,8,20H,2-3,6-7,9-10H2,1H3.
What are the key properties of N-[(2-chloro-5-nitrophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide?
N-[(2-chloro-5-nitrophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide has a molecular weight of 326.78 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-nitrophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide is sourced from PubChem (CID 111430478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).