2-[[3-(5-chloro-2-pyridinyl)-1-[4-(difluoromethoxy)-3-(difluoromethylphosphanyl)phenyl]propyl]amino]-2-phenylacetamide

C24H23ClF4N3O2P — CID 145469288

IUPAC2-[[3-(5-chloro-2-pyridinyl)-1-[4-(difluoromethoxy)-3-(difluoromethylphosphanyl)phenyl]propyl]amino]-2-phenylacetamide
SMILESNC(=O)C(NC(CCc1ccc(Cl)cn1)c1ccc(OC(F)F)c(PC(F)F)c1)c1ccccc1
InChIInChI=1S/C24H23ClF4N3O2P/c25-16-7-8-17(31-13-16)9-10-18(32-21(22(30)33)14-4-2-1-3-5-14)15-6-11-19(34-23(26)27)20(12-15)35-24(28)29/h1-8,11-13,18,21,23-24,32,35H,9-10H2,(H2,30,33)
InChIKeyMCDVDSOVLWFROC-UHFFFAOYSA-N
MW527.89 g/mol
LogP5.35
Rot. Bonds12

About 2-[[3-(5-chloro-2-pyridinyl)-1-[4-(difluoromethoxy)-3-(difluoromethylphosphanyl)phenyl]propyl]amino]-2-phenylacetamide

2-[[3-(5-chloro-2-pyridinyl)-1-[4-(difluoromethoxy)-3-(difluoromethylphosphanyl)phenyl]propyl]amino]-2-phenylacetamide (PubChem CID 145469288) has the molecular formula C24H23ClF4N3O2P and a molecular weight of 527.89 g/mol. Its IUPAC name is 2-[[3-(5-chloro-2-pyridinyl)-1-[4-(difluoromethoxy)-3-(difluoromethylphosphanyl)phenyl]propyl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name2-[[3-(5-chloro-2-pyridinyl)-1-[4-(difluoromethoxy)-3-(difluoromethylphosphanyl)phenyl]propyl]amino]-2-phenylacetamide
PubChem CID145469288
Molecular FormulaC24H23ClF4N3O2P
Molecular Weight527.89 g/mol
Exact Mass527.12
IUPAC Name2-[[3-(5-chloro-2-pyridinyl)-1-[4-(difluoromethoxy)-3-(difluoromethylphosphanyl)phenyl]propyl]amino]-2-phenylacetamide
SMILESNC(=O)C(NC(CCc1ccc(Cl)cn1)c1ccc(OC(F)F)c(PC(F)F)c1)c1ccccc1
InChIInChI=1S/C24H23ClF4N3O2P/c25-16-7-8-17(31-13-16)9-10-18(32-21(22(30)33)14-4-2-1-3-5-14)15-6-11-19(34-23(26)27)20(12-15)35-24(28)29/h1-8,11-13,18,21,23-24,32,35H,9-10H2,(H2,30,33)
InChIKeyMCDVDSOVLWFROC-UHFFFAOYSA-N
XLogP5.35
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.89
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[(1R)-1-[3,4-bis(difluoromethoxy)phenyl]-3-(5-chloropyrazin-2-yl)propyl]amino]-N-methyl-2-phenylacetamide
CID 25098187
(2R)-2-[[3-(4-chlorophenyl)-1-(4-fluoro-3-methylphenyl)propyl]amino]-2-phenylacetamide
CID 71111986
(2S)-2-[[(1R)-3-(5-chloropyrazin-2-yl)-1-(4-fluoro-3-methylphenyl)propyl]amino]-N-methyl-2-phenylacetamide
CID 59553683
2-[[(1R)-1-(4-fluoro-3-methylphenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 68768464
(2S)-2-[[1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide
CID 70294127
(2R)-2-[[(1S)-1-(4-fluoro-3-methylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]amino]-2-phenylacetamide
CID 25098463
2-[[3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-N-methyl-2-phenylacetamide
CID 68764746
(2S)-2-[[(1R)-3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-N-methyl-2-phenylacetamide
CID 25095852
(2R)-2-[[(1R)-3-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)propyl]amino]-N-methyl-2-phenylacetamide
CID 59553549
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(5-chloro-2-pyridinyl)sulfanyl]acetamide
CID 112815647
(2S)-2-[[(1R)-1-(4-fluoro-3-methylphenyl)-3-(4-methylphenyl)propyl]amino]-2-(4-methylphenyl)acetamide
CID 68766934
2-[1-(4-chlorophenyl)ethylamino]-2-phenylacetamide
CID 51074999

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(5-chloro-2-pyridinyl)-1-[4-(difluoromethoxy)-3-(difluoromethylphosphanyl)phenyl]propyl]amino]-2-phenylacetamide?
The IUPAC name of 2-[[3-(5-chloro-2-pyridinyl)-1-[4-(difluoromethoxy)-3-(difluoromethylphosphanyl)phenyl]propyl]amino]-2-phenylacetamide (CID 145469288) is 2-[[3-(5-chloro-2-pyridinyl)-1-[4-(difluoromethoxy)-3-(difluoromethylphosphanyl)phenyl]propyl]amino]-2-phenylacetamide.
What is the SMILES notation for 2-[[3-(5-chloro-2-pyridinyl)-1-[4-(difluoromethoxy)-3-(difluoromethylphosphanyl)phenyl]propyl]amino]-2-phenylacetamide?
The canonical SMILES for 2-[[3-(5-chloro-2-pyridinyl)-1-[4-(difluoromethoxy)-3-(difluoromethylphosphanyl)phenyl]propyl]amino]-2-phenylacetamide is NC(=O)C(NC(CCc1ccc(Cl)cn1)c1ccc(OC(F)F)c(PC(F)F)c1)c1ccccc1.
What is the InChIKey of 2-[[3-(5-chloro-2-pyridinyl)-1-[4-(difluoromethoxy)-3-(difluoromethylphosphanyl)phenyl]propyl]amino]-2-phenylacetamide?
The InChIKey is MCDVDSOVLWFROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClF4N3O2P/c25-16-7-8-17(31-13-16)9-10-18(32-21(22(30)33)14-4-2-1-3-5-14)15-6-11-19(34-23(26)27)20(12-15)35-24(28)29/h1-8,11-13,18,21,23-24,32,35H,9-10H2,(H2,30,33).
What are the key properties of 2-[[3-(5-chloro-2-pyridinyl)-1-[4-(difluoromethoxy)-3-(difluoromethylphosphanyl)phenyl]propyl]amino]-2-phenylacetamide?
2-[[3-(5-chloro-2-pyridinyl)-1-[4-(difluoromethoxy)-3-(difluoromethylphosphanyl)phenyl]propyl]amino]-2-phenylacetamide has a molecular weight of 527.89 g/mol, XLogP of 5.35, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(5-chloro-2-pyridinyl)-1-[4-(difluoromethoxy)-3-(difluoromethylphosphanyl)phenyl]propyl]amino]-2-phenylacetamide is sourced from PubChem (CID 145469288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).