N-[1-[3-(4-chlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]formamide

C20H15ClF2N2O — CID 144505155

IUPACN-[1-[3-(4-chlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]formamide
SMILESO=CNC(Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(Cl)cc1
InChIInChI=1S/C20H15ClF2N2O/c21-15-5-3-14(4-6-15)18-2-1-7-24-20(18)19(25-12-26)10-13-8-16(22)11-17(23)9-13/h1-9,11-12,19H,10H2,(H,25,26)
InChIKeyUAQHCVVGYTYZMN-UHFFFAOYSA-N
MW372.80 g/mol
LogP4.71
Rot. Bonds6

About N-[1-[3-(4-chlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]formamide

N-[1-[3-(4-chlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]formamide (PubChem CID 144505155) has the molecular formula C20H15ClF2N2O and a molecular weight of 372.80 g/mol. Its IUPAC name is N-[1-[3-(4-chlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]formamide.

Molecular Properties

Compound NameN-[1-[3-(4-chlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]formamide
PubChem CID144505155
Molecular FormulaC20H15ClF2N2O
Molecular Weight372.80 g/mol
Exact Mass372.08
IUPAC NameN-[1-[3-(4-chlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]formamide
SMILESO=CNC(Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(Cl)cc1
InChIInChI=1S/C20H15ClF2N2O/c21-15-5-3-14(4-6-15)18-2-1-7-24-20(18)19(25-12-26)10-13-8-16(22)11-17(23)9-13/h1-9,11-12,19H,10H2,(H,25,26)
InChIKeyUAQHCVVGYTYZMN-UHFFFAOYSA-N
XLogP4.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.80
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[2-(3,5-difluorophenyl)-1-formamidoethyl]-3-pyridinyl]pyridine-2-carboxamide
CID 144505376
tert-butyl (3R)-3-[3-(4-chlorophenyl)-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate
CID 158805263
N-[(1S)-1-[3-(4-chlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]acetamide
CID 135215924
N-[2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(hydrazinecarbonyl)phenyl]-2-pyridinyl]ethyl]formamide;7-ethyl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-one
CID 144505971
5-[2-[2-(3,5-difluorophenyl)-1-[(3-hydroxy-2-phenylpropanoyl)amino]ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 78023732
5-[2-[(1S)-1-(tert-butylsulfinylamino)-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 134345008
5-[2-[1-[(2-chlorophenyl)sulfonylcarbamoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 118950632
3-ethyl-5-(trifluoromethyl)-1H-indole;N-[1-[3-[4-fluoro-3-(hydrazinecarbonyl)phenyl]-2-pyridinyl]-2-(3-fluoro-5-phosphanylphenyl)ethyl]formamide
CID 144505640
5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-formyl-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 89351001
5-[2-[(1S)-1-[[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 89351015
5-[2-[(1S)-1-[[2-[[3-amino-4,4,4-trifluoro-2-(hydroxymethyl)but-2-enylidene]amino]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 162564259
5-[2-[(1S)-1-[[2-(5-chloro-2,3-dihydroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 118357823

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-chlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]formamide?
The IUPAC name of N-[1-[3-(4-chlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]formamide (CID 144505155) is N-[1-[3-(4-chlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]formamide.
What is the SMILES notation for N-[1-[3-(4-chlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]formamide?
The canonical SMILES for N-[1-[3-(4-chlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]formamide is O=CNC(Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(Cl)cc1.
What is the InChIKey of N-[1-[3-(4-chlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]formamide?
The InChIKey is UAQHCVVGYTYZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF2N2O/c21-15-5-3-14(4-6-15)18-2-1-7-24-20(18)19(25-12-26)10-13-8-16(22)11-17(23)9-13/h1-9,11-12,19H,10H2,(H,25,26).
What are the key properties of N-[1-[3-(4-chlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]formamide?
N-[1-[3-(4-chlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]formamide has a molecular weight of 372.80 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-chlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]formamide is sourced from PubChem (CID 144505155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).