N-bis(dibenzylamino)phosphoryl-2,6-dichlorobenzamide

C35H32Cl2N3O2P — CID 139199338

IUPACN-bis(dibenzylamino)phosphoryl-2,6-dichlorobenzamide
SMILESO=C(NP(=O)(N(Cc1ccccc1)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C35H32Cl2N3O2P/c36-32-22-13-23-33(37)34(32)35(41)38-43(42,39(24-28-14-5-1-6-15-28)25-29-16-7-2-8-17-29)40(26-30-18-9-3-10-19-30)27-31-20-11-4-12-21-31/h1-23H,24-27H2,(H,38,41,42)
InChIKeyQFNDOMPAAAFVRV-UHFFFAOYSA-N
MW628.54 g/mol
LogP9.24
Rot. Bonds12

About N-bis(dibenzylamino)phosphoryl-2,6-dichlorobenzamide

N-bis(dibenzylamino)phosphoryl-2,6-dichlorobenzamide (PubChem CID 139199338) has the molecular formula C35H32Cl2N3O2P and a molecular weight of 628.54 g/mol. Its IUPAC name is N-bis(dibenzylamino)phosphoryl-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-bis(dibenzylamino)phosphoryl-2,6-dichlorobenzamide
PubChem CID139199338
Molecular FormulaC35H32Cl2N3O2P
Molecular Weight628.54 g/mol
Exact Mass627.16
IUPAC NameN-bis(dibenzylamino)phosphoryl-2,6-dichlorobenzamide
SMILESO=C(NP(=O)(N(Cc1ccccc1)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C35H32Cl2N3O2P/c36-32-22-13-23-33(37)34(32)35(41)38-43(42,39(24-28-14-5-1-6-15-28)25-29-16-7-2-8-17-29)40(26-30-18-9-3-10-19-30)27-31-20-11-4-12-21-31/h1-23H,24-27H2,(H,38,41,42)
InChIKeyQFNDOMPAAAFVRV-UHFFFAOYSA-N
XLogP9.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.54
LogP ≤ 59.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-bis(dibenzylamino)phosphoryl-2,2-dichloroacetamide
CID 102300965
N-[benzyl-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]carbamoyl]-2,6-dichlorobenzamide
CID 7176958
2,6-dichloro-N'-(2-chlorobenzoyl)benzohydrazide
CID 78774908
2,6-dichloro-N-(pyridin-1-ium-3-ylmethyl)benzamide chloride
CID 20787064
1,1-dibenzyl-3-(2-chloro-6-fluorophenyl)urea
CID 108896524
N',N'-dibenzyl-N-(2,3-dichlorophenyl)oxamide
CID 108500761
benzyl(chloro)carbamic acid
CID 54007228
2,6-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 159197280
3-[(2,6-dichlorobenzoyl)amino]-2-phenylpropanoic acid
CID 155944087
propan-2-yl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-phenylpropanoate
CID 66646632
[2-(dibenzylamino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 7820802
1-[(2,6-dichlorobenzoyl)amino]-3-phenylurea
CID 134118825

Frequently Asked Questions

What is the IUPAC name of N-bis(dibenzylamino)phosphoryl-2,6-dichlorobenzamide?
The IUPAC name of N-bis(dibenzylamino)phosphoryl-2,6-dichlorobenzamide (CID 139199338) is N-bis(dibenzylamino)phosphoryl-2,6-dichlorobenzamide.
What is the SMILES notation for N-bis(dibenzylamino)phosphoryl-2,6-dichlorobenzamide?
The canonical SMILES for N-bis(dibenzylamino)phosphoryl-2,6-dichlorobenzamide is O=C(NP(=O)(N(Cc1ccccc1)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1)c1c(Cl)cccc1Cl.
What is the InChIKey of N-bis(dibenzylamino)phosphoryl-2,6-dichlorobenzamide?
The InChIKey is QFNDOMPAAAFVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32Cl2N3O2P/c36-32-22-13-23-33(37)34(32)35(41)38-43(42,39(24-28-14-5-1-6-15-28)25-29-16-7-2-8-17-29)40(26-30-18-9-3-10-19-30)27-31-20-11-4-12-21-31/h1-23H,24-27H2,(H,38,41,42).
What are the key properties of N-bis(dibenzylamino)phosphoryl-2,6-dichlorobenzamide?
N-bis(dibenzylamino)phosphoryl-2,6-dichlorobenzamide has a molecular weight of 628.54 g/mol, XLogP of 9.24, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(dibenzylamino)phosphoryl-2,6-dichlorobenzamide is sourced from PubChem (CID 139199338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).