N-[3-[3-(4-chlorophenoxy)phenyl]propyl]-2-phosphonatoacetamide

C17H17ClNO5P-2 — CID 91935111

IUPACN-[3-[3-(4-chlorophenoxy)phenyl]propyl]-2-phosphonatoacetamide
SMILESO=C(CP(=O)([O-])[O-])NCCCc1cccc(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H19ClNO5P/c18-14-6-8-15(9-7-14)24-16-5-1-3-13(11-16)4-2-10-19-17(20)12-25(21,22)23/h1,3,5-9,11H,2,4,10,12H2,(H,19,20)(H2,21,22,23)/p-2
InChIKeyZMUAKKRAIGELBC-UHFFFAOYSA-L
MW381.75 g/mol
LogP2.09
Rot. Bonds8

About N-[3-[3-(4-chlorophenoxy)phenyl]propyl]-2-phosphonatoacetamide

N-[3-[3-(4-chlorophenoxy)phenyl]propyl]-2-phosphonatoacetamide (PubChem CID 91935111) has the molecular formula C17H17ClNO5P-2 and a molecular weight of 381.75 g/mol. Its IUPAC name is N-[3-[3-(4-chlorophenoxy)phenyl]propyl]-2-phosphonatoacetamide.

Molecular Properties

Compound NameN-[3-[3-(4-chlorophenoxy)phenyl]propyl]-2-phosphonatoacetamide
PubChem CID91935111
Molecular FormulaC17H17ClNO5P-2
Molecular Weight381.75 g/mol
Exact Mass381.05
IUPAC NameN-[3-[3-(4-chlorophenoxy)phenyl]propyl]-2-phosphonatoacetamide
SMILESO=C(CP(=O)([O-])[O-])NCCCc1cccc(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H19ClNO5P/c18-14-6-8-15(9-7-14)24-16-5-1-3-13(11-16)4-2-10-19-17(20)12-25(21,22)23/h1,3,5-9,11H,2,4,10,12H2,(H,19,20)(H2,21,22,23)/p-2
InChIKeyZMUAKKRAIGELBC-UHFFFAOYSA-L
XLogP2.09
TPSA101.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.75
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze N-[3-[3-(4-chlorophenoxy)phenyl]propyl]-2-phosphonatoacetamide 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

dipotassium;N-[3-[3-(4-chlorophenoxy)phenyl]propyl]-2-phosphonatoacetamide
CID 58062257
dipotassium;hydride;[2-oxo-2-[3-(3-phenoxyphenyl)propylamino]ethyl]phosphonic acid
CID 173007799
N-[3-(3-phenoxyphenyl)propyl]propanamide
CID 58062216
O-[3-[3-(4-chlorophenoxy)phenyl]propyl]hydroxylamine
CID 70328093
[1-amino-1,3-dioxo-3-[3-(3-phenoxyphenyl)propylamino]propan-2-yl]phosphonic acid
CID 66680025
2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 95172596
2-(4-chlorophenoxy)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 1370971
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30228919
N-benzyl-4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]benzamide
CID 3890451
2-(2,5-dimethylphenyl)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 38002281
N-(3-aminopropyl)-2-[3-[(3-chlorophenyl)methoxy]phenyl]acetamide
CID 119405733
N-[2-(4-chlorophenoxy)ethyl]-3-(3-methoxyphenyl)propanamide
CID 34409690

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-chlorophenoxy)phenyl]propyl]-2-phosphonatoacetamide?
The IUPAC name of N-[3-[3-(4-chlorophenoxy)phenyl]propyl]-2-phosphonatoacetamide (CID 91935111) is N-[3-[3-(4-chlorophenoxy)phenyl]propyl]-2-phosphonatoacetamide.
What is the SMILES notation for N-[3-[3-(4-chlorophenoxy)phenyl]propyl]-2-phosphonatoacetamide?
The canonical SMILES for N-[3-[3-(4-chlorophenoxy)phenyl]propyl]-2-phosphonatoacetamide is O=C(CP(=O)([O-])[O-])NCCCc1cccc(Oc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[3-[3-(4-chlorophenoxy)phenyl]propyl]-2-phosphonatoacetamide?
The InChIKey is ZMUAKKRAIGELBC-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H19ClNO5P/c18-14-6-8-15(9-7-14)24-16-5-1-3-13(11-16)4-2-10-19-17(20)12-25(21,22)23/h1,3,5-9,11H,2,4,10,12H2,(H,19,20)(H2,21,22,23)/p-2.
What are the key properties of N-[3-[3-(4-chlorophenoxy)phenyl]propyl]-2-phosphonatoacetamide?
N-[3-[3-(4-chlorophenoxy)phenyl]propyl]-2-phosphonatoacetamide has a molecular weight of 381.75 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-chlorophenoxy)phenyl]propyl]-2-phosphonatoacetamide is sourced from PubChem (CID 91935111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).