3-(3,4-dichlorophenyl)-1-[diethylamino(phenyl)phosphoryl]-1,1-difluoropropan-2-one

C19H20Cl2F2NO2P — CID 164665838

IUPAC3-(3,4-dichlorophenyl)-1-[diethylamino(phenyl)phosphoryl]-1,1-difluoropropan-2-one
SMILESCCN(CC)P(=O)(c1ccccc1)C(F)(F)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H20Cl2F2NO2P/c1-3-24(4-2)27(26,15-8-6-5-7-9-15)19(22,23)18(25)13-14-10-11-16(20)17(21)12-14/h5-12H,3-4,13H2,1-2H3
InChIKeyPCYQCZNSWRQFPX-UHFFFAOYSA-N
MW434.25 g/mol
LogP5.64
Rot. Bonds8

About 3-(3,4-dichlorophenyl)-1-[diethylamino(phenyl)phosphoryl]-1,1-difluoropropan-2-one

3-(3,4-dichlorophenyl)-1-[diethylamino(phenyl)phosphoryl]-1,1-difluoropropan-2-one (PubChem CID 164665838) has the molecular formula C19H20Cl2F2NO2P and a molecular weight of 434.25 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-1-[diethylamino(phenyl)phosphoryl]-1,1-difluoropropan-2-one.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-1-[diethylamino(phenyl)phosphoryl]-1,1-difluoropropan-2-one
PubChem CID164665838
Molecular FormulaC19H20Cl2F2NO2P
Molecular Weight434.25 g/mol
Exact Mass433.06
IUPAC Name3-(3,4-dichlorophenyl)-1-[diethylamino(phenyl)phosphoryl]-1,1-difluoropropan-2-one
SMILESCCN(CC)P(=O)(c1ccccc1)C(F)(F)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H20Cl2F2NO2P/c1-3-24(4-2)27(26,15-8-6-5-7-9-15)19(22,23)18(25)13-14-10-11-16(20)17(21)12-14/h5-12H,3-4,13H2,1-2H3
InChIKeyPCYQCZNSWRQFPX-UHFFFAOYSA-N
XLogP5.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.25
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dichlorophenyl)-3-(dimethylamino)-3-ethylpentan-2-one
CID 79062065
3-[[2-(3,4-dichlorophenyl)acetyl]-ethylamino]butanoic acid
CID 62822279
2-(3,4-dichlorophenyl)-N,N-dimethylacetamide
CID 14740023
2-[[[2-(3,4-dichlorophenyl)acetyl]amino]methyl]-3-methylbutanoic acid
CID 65220573
N-[3-[(3,4-dichlorophenyl)methyl-ethylamino]-3-oxopropyl]benzamide
CID 55916150
2-[benzyl-[2-(3,4-dichlorophenyl)acetyl]amino]-N-methylpropanamide
CID 132656904
N-[(1S)-2-amino-1-phenylethyl]-2-(3,4-dichlorophenyl)-N-methylacetamide
CID 121348065
1-(4-chloro-3-fluorophenyl)-3,3-difluorobutan-2-one
CID 130985316
2-[[(3,4-dichlorophenyl)methyl-(1-phenylethyl)amino]methyl]-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
CID 46002516
1-(3,4-dichlorophenyl)-4-methylpent-3-en-2-one
CID 79190694
1-(3,4-dichlorophenyl)-3-hydroxyhexan-2-one
CID 103453814
2-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid
CID 61261366

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-1-[diethylamino(phenyl)phosphoryl]-1,1-difluoropropan-2-one?
The IUPAC name of 3-(3,4-dichlorophenyl)-1-[diethylamino(phenyl)phosphoryl]-1,1-difluoropropan-2-one (CID 164665838) is 3-(3,4-dichlorophenyl)-1-[diethylamino(phenyl)phosphoryl]-1,1-difluoropropan-2-one.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-1-[diethylamino(phenyl)phosphoryl]-1,1-difluoropropan-2-one?
The canonical SMILES for 3-(3,4-dichlorophenyl)-1-[diethylamino(phenyl)phosphoryl]-1,1-difluoropropan-2-one is CCN(CC)P(=O)(c1ccccc1)C(F)(F)C(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-1-[diethylamino(phenyl)phosphoryl]-1,1-difluoropropan-2-one?
The InChIKey is PCYQCZNSWRQFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2F2NO2P/c1-3-24(4-2)27(26,15-8-6-5-7-9-15)19(22,23)18(25)13-14-10-11-16(20)17(21)12-14/h5-12H,3-4,13H2,1-2H3.
What are the key properties of 3-(3,4-dichlorophenyl)-1-[diethylamino(phenyl)phosphoryl]-1,1-difluoropropan-2-one?
3-(3,4-dichlorophenyl)-1-[diethylamino(phenyl)phosphoryl]-1,1-difluoropropan-2-one has a molecular weight of 434.25 g/mol, XLogP of 5.64, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-1-[diethylamino(phenyl)phosphoryl]-1,1-difluoropropan-2-one is sourced from PubChem (CID 164665838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).