N-bis(4-chlorophenoxy)phosphoryl-2-propoxyaniline

C21H20Cl2NO4P — CID 2272799

IUPACN-bis(4-chlorophenoxy)phosphoryl-2-propoxyaniline
SMILESCCCOc1ccccc1NP(=O)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C21H20Cl2NO4P/c1-2-15-26-21-6-4-3-5-20(21)24-29(25,27-18-11-7-16(22)8-12-18)28-19-13-9-17(23)10-14-19/h3-14H,2,15H2,1H3,(H,24,25)
InChIKeyNPNHBTVIGZHUIN-UHFFFAOYSA-N
MW452.27 g/mol
LogP7.46
Rot. Bonds9

About N-bis(4-chlorophenoxy)phosphoryl-2-propoxyaniline

N-bis(4-chlorophenoxy)phosphoryl-2-propoxyaniline (PubChem CID 2272799) has the molecular formula C21H20Cl2NO4P and a molecular weight of 452.27 g/mol. Its IUPAC name is N-bis(4-chlorophenoxy)phosphoryl-2-propoxyaniline.

Molecular Properties

Compound NameN-bis(4-chlorophenoxy)phosphoryl-2-propoxyaniline
PubChem CID2272799
Molecular FormulaC21H20Cl2NO4P
Molecular Weight452.27 g/mol
Exact Mass451.05
IUPAC NameN-bis(4-chlorophenoxy)phosphoryl-2-propoxyaniline
SMILESCCCOc1ccccc1NP(=O)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C21H20Cl2NO4P/c1-2-15-26-21-6-4-3-5-20(21)24-29(25,27-18-11-7-16(22)8-12-18)28-19-13-9-17(23)10-14-19/h3-14H,2,15H2,1H3,(H,24,25)
InChIKeyNPNHBTVIGZHUIN-UHFFFAOYSA-N
XLogP7.46
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.27
LogP ≤ 57.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-2-propoxyaniline
CID 43682265
2-(2-butoxyanilino)-N-(4-chlorophenyl)acetamide
CID 54827839
N-(2-butoxyphenyl)-2-(4-chlorophenoxy)propanamide
CID 17087061
(4-chlorophenyl)-(2-propoxyphenyl)methanone
CID 104659114
N'-(4-chlorobenzoyl)-2-propoxybenzohydrazide
CID 4931565
3-(4-chlorophenyl)sulfonyl-N-(2-propoxyphenyl)propanamide
CID 26898062
2-chloro-6-fluoro-N-(2-propoxyphenyl)benzamide
CID 17395083
methyl N-(2-propoxyphenyl)carbamate
CID 19872099
N-(3,3-dimethylbutyl)-2-propoxyaniline
CID 63427056
2-chloro-N-(2-propoxyphenyl)benzenesulfonamide
CID 7938551
5-chloro-N-(2-propoxyphenyl)pentanamide
CID 43697480
2-(2-butoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54828232

Frequently Asked Questions

What is the IUPAC name of N-bis(4-chlorophenoxy)phosphoryl-2-propoxyaniline?
The IUPAC name of N-bis(4-chlorophenoxy)phosphoryl-2-propoxyaniline (CID 2272799) is N-bis(4-chlorophenoxy)phosphoryl-2-propoxyaniline.
What is the SMILES notation for N-bis(4-chlorophenoxy)phosphoryl-2-propoxyaniline?
The canonical SMILES for N-bis(4-chlorophenoxy)phosphoryl-2-propoxyaniline is CCCOc1ccccc1NP(=O)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1.
What is the InChIKey of N-bis(4-chlorophenoxy)phosphoryl-2-propoxyaniline?
The InChIKey is NPNHBTVIGZHUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2NO4P/c1-2-15-26-21-6-4-3-5-20(21)24-29(25,27-18-11-7-16(22)8-12-18)28-19-13-9-17(23)10-14-19/h3-14H,2,15H2,1H3,(H,24,25).
What are the key properties of N-bis(4-chlorophenoxy)phosphoryl-2-propoxyaniline?
N-bis(4-chlorophenoxy)phosphoryl-2-propoxyaniline has a molecular weight of 452.27 g/mol, XLogP of 7.46, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(4-chlorophenoxy)phosphoryl-2-propoxyaniline is sourced from PubChem (CID 2272799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).