N-[2-[4-[3-(2-chlorophenyl)-2-pyridinyl]phenyl]-4-(1,1-difluoropropyl)phenyl]acetamide

C28H23ClF2N2O — CID 140804572

IUPACN-[2-[4-[3-(2-chlorophenyl)-2-pyridinyl]phenyl]-4-(1,1-difluoropropyl)phenyl]acetamide
SMILESCCC(F)(F)c1ccc(NC(C)=O)c(-c2ccc(-c3ncccc3-c3ccccc3Cl)cc2)c1
InChIInChI=1S/C28H23ClF2N2O/c1-3-28(30,31)21-14-15-26(33-18(2)34)24(17-21)19-10-12-20(13-11-19)27-23(8-6-16-32-27)22-7-4-5-9-25(22)29/h4-17H,3H2,1-2H3,(H,33,34)
InChIKeyIIEALEDTCCVIDD-UHFFFAOYSA-N
MW476.95 g/mol
LogP8.20
Rot. Bonds6

About N-[2-[4-[3-(2-chlorophenyl)-2-pyridinyl]phenyl]-4-(1,1-difluoropropyl)phenyl]acetamide

N-[2-[4-[3-(2-chlorophenyl)-2-pyridinyl]phenyl]-4-(1,1-difluoropropyl)phenyl]acetamide (PubChem CID 140804572) has the molecular formula C28H23ClF2N2O and a molecular weight of 476.95 g/mol. Its IUPAC name is N-[2-[4-[3-(2-chlorophenyl)-2-pyridinyl]phenyl]-4-(1,1-difluoropropyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[3-(2-chlorophenyl)-2-pyridinyl]phenyl]-4-(1,1-difluoropropyl)phenyl]acetamide
PubChem CID140804572
Molecular FormulaC28H23ClF2N2O
Molecular Weight476.95 g/mol
Exact Mass476.15
IUPAC NameN-[2-[4-[3-(2-chlorophenyl)-2-pyridinyl]phenyl]-4-(1,1-difluoropropyl)phenyl]acetamide
SMILESCCC(F)(F)c1ccc(NC(C)=O)c(-c2ccc(-c3ncccc3-c3ccccc3Cl)cc2)c1
InChIInChI=1S/C28H23ClF2N2O/c1-3-28(30,31)21-14-15-26(33-18(2)34)24(17-21)19-10-12-20(13-11-19)27-23(8-6-16-32-27)22-7-4-5-9-25(22)29/h4-17H,3H2,1-2H3,(H,33,34)
InChIKeyIIEALEDTCCVIDD-UHFFFAOYSA-N
XLogP8.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.95
LogP ≤ 58.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[3-(2-chlorophenyl)-2-pyridinyl]phenyl]-4-(1,1-difluoropropyl)phenyl]acetamide?
The IUPAC name of N-[2-[4-[3-(2-chlorophenyl)-2-pyridinyl]phenyl]-4-(1,1-difluoropropyl)phenyl]acetamide (CID 140804572) is N-[2-[4-[3-(2-chlorophenyl)-2-pyridinyl]phenyl]-4-(1,1-difluoropropyl)phenyl]acetamide.
What is the SMILES notation for N-[2-[4-[3-(2-chlorophenyl)-2-pyridinyl]phenyl]-4-(1,1-difluoropropyl)phenyl]acetamide?
The canonical SMILES for N-[2-[4-[3-(2-chlorophenyl)-2-pyridinyl]phenyl]-4-(1,1-difluoropropyl)phenyl]acetamide is CCC(F)(F)c1ccc(NC(C)=O)c(-c2ccc(-c3ncccc3-c3ccccc3Cl)cc2)c1.
What is the InChIKey of N-[2-[4-[3-(2-chlorophenyl)-2-pyridinyl]phenyl]-4-(1,1-difluoropropyl)phenyl]acetamide?
The InChIKey is IIEALEDTCCVIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClF2N2O/c1-3-28(30,31)21-14-15-26(33-18(2)34)24(17-21)19-10-12-20(13-11-19)27-23(8-6-16-32-27)22-7-4-5-9-25(22)29/h4-17H,3H2,1-2H3,(H,33,34).
What are the key properties of N-[2-[4-[3-(2-chlorophenyl)-2-pyridinyl]phenyl]-4-(1,1-difluoropropyl)phenyl]acetamide?
N-[2-[4-[3-(2-chlorophenyl)-2-pyridinyl]phenyl]-4-(1,1-difluoropropyl)phenyl]acetamide has a molecular weight of 476.95 g/mol, XLogP of 8.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[3-(2-chlorophenyl)-2-pyridinyl]phenyl]-4-(1,1-difluoropropyl)phenyl]acetamide is sourced from PubChem (CID 140804572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).