N-(4-chloro-3-nitrophenyl)-2-(4-propylphenoxy)acetamide

C17H17ClN2O4 — CID 19173108

IUPACN-(4-chloro-3-nitrophenyl)-2-(4-propylphenoxy)acetamide
SMILESCCCc1ccc(OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C17H17ClN2O4/c1-2-3-12-4-7-14(8-5-12)24-11-17(21)19-13-6-9-15(18)16(10-13)20(22)23/h4-10H,2-3,11H2,1H3,(H,19,21)
InChIKeyIBQRDKBRCLXLCU-UHFFFAOYSA-N
MW348.79 g/mol
LogP4.22
Rot. Bonds7

About N-(4-chloro-3-nitrophenyl)-2-(4-propylphenoxy)acetamide

N-(4-chloro-3-nitrophenyl)-2-(4-propylphenoxy)acetamide (PubChem CID 19173108) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-2-(4-propylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-2-(4-propylphenoxy)acetamide
PubChem CID19173108
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC NameN-(4-chloro-3-nitrophenyl)-2-(4-propylphenoxy)acetamide
SMILESCCCc1ccc(OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C17H17ClN2O4/c1-2-3-12-4-7-14(8-5-12)24-11-17(21)19-13-6-9-15(18)16(10-13)20(22)23/h4-10H,2-3,11H2,1H3,(H,19,21)
InChIKeyIBQRDKBRCLXLCU-UHFFFAOYSA-N
XLogP4.22
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 54.22
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-(4-chloro-3-nitrophenyl)-2-(4-propylphenoxy)acetamide 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-(4-chloro-3-nitrophenyl)-4-(4-propylphenoxy)butanamide
CID 19191422
methyl 2-[4-[2-(4-chloro-3-nitroanilino)-2-oxoethoxy]phenyl]acetate
CID 7695259
N-(4-chloro-3-nitrophenyl)-2-(4-iodophenoxy)acetamide
CID 35987063
N-(4-chloro-3-nitrophenyl)-3-(4-ethylphenoxy)propanamide
CID 108807182
N-(4-chloro-3-nitrophenyl)-2-(3,4-difluorophenoxy)acetamide
CID 7707047
N-(4-chloro-3-nitrophenyl)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 19173109
N-(4-chloro-3-nitrophenyl)-2-(2,4-dipentylphenoxy)acetamide
CID 3511506
ethyl N-[3-[2-(4-chloro-3-nitroanilino)-2-oxoethoxy]phenyl]carbamate
CID 29183038
N-(4-amino-3-nitrophenyl)-2-(4-chlorophenoxy)acetamide
CID 23464321
N-(3,4-dichlorophenyl)-2-(4-ethylphenoxy)acetamide
CID 706860
N-(4-chloro-3-nitrophenyl)-2-(2-methoxyethoxy)acetamide
CID 103606725
2-(4-bromo-2-ethylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide
CID 19202492

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-2-(4-propylphenoxy)acetamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-2-(4-propylphenoxy)acetamide (CID 19173108) is N-(4-chloro-3-nitrophenyl)-2-(4-propylphenoxy)acetamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-2-(4-propylphenoxy)acetamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-2-(4-propylphenoxy)acetamide is CCCc1ccc(OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-2-(4-propylphenoxy)acetamide?
The InChIKey is IBQRDKBRCLXLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-2-3-12-4-7-14(8-5-12)24-11-17(21)19-13-6-9-15(18)16(10-13)20(22)23/h4-10H,2-3,11H2,1H3,(H,19,21).
What are the key properties of N-(4-chloro-3-nitrophenyl)-2-(4-propylphenoxy)acetamide?
N-(4-chloro-3-nitrophenyl)-2-(4-propylphenoxy)acetamide has a molecular weight of 348.79 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-2-(4-propylphenoxy)acetamide is sourced from PubChem (CID 19173108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).