3-chloro-N-[2-(2,4-dimethylphenyl)-2,2-difluoroethyl]cinnoline-4-carboxamide

C19H16ClF2N3O — CID 162357511

IUPAC3-chloro-N-[2-(2,4-dimethylphenyl)-2,2-difluoroethyl]cinnoline-4-carboxamide
SMILESCc1ccc(C(F)(F)CNC(=O)c2c(Cl)nnc3ccccc23)c(C)c1
InChIInChI=1S/C19H16ClF2N3O/c1-11-7-8-14(12(2)9-11)19(21,22)10-23-18(26)16-13-5-3-4-6-15(13)24-25-17(16)20/h3-9H,10H2,1-2H3,(H,23,26)
InChIKeyVNIBRWWKSUUOMJ-UHFFFAOYSA-N
MW375.81 g/mol
LogP4.42
Rot. Bonds4

About 3-chloro-N-[2-(2,4-dimethylphenyl)-2,2-difluoroethyl]cinnoline-4-carboxamide

3-chloro-N-[2-(2,4-dimethylphenyl)-2,2-difluoroethyl]cinnoline-4-carboxamide (PubChem CID 162357511) has the molecular formula C19H16ClF2N3O and a molecular weight of 375.81 g/mol. Its IUPAC name is 3-chloro-N-[2-(2,4-dimethylphenyl)-2,2-difluoroethyl]cinnoline-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[2-(2,4-dimethylphenyl)-2,2-difluoroethyl]cinnoline-4-carboxamide
PubChem CID162357511
Molecular FormulaC19H16ClF2N3O
Molecular Weight375.81 g/mol
Exact Mass375.09
IUPAC Name3-chloro-N-[2-(2,4-dimethylphenyl)-2,2-difluoroethyl]cinnoline-4-carboxamide
SMILESCc1ccc(C(F)(F)CNC(=O)c2c(Cl)nnc3ccccc23)c(C)c1
InChIInChI=1S/C19H16ClF2N3O/c1-11-7-8-14(12(2)9-11)19(21,22)10-23-18(26)16-13-5-3-4-6-15(13)24-25-17(16)20/h3-9H,10H2,1-2H3,(H,23,26)
InChIKeyVNIBRWWKSUUOMJ-UHFFFAOYSA-N
XLogP4.42
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(difluoromethyl)phenoxy]-N-[2-(2,4-dimethylphenyl)-2,2-difluoroethyl]-5,6,7,8-tetrahydrocinnoline-4-carboxamide
CID 162357803
N-[2-(2,4-dimethylphenyl)-2,2-difluoroethyl]-3-[3-(trifluoromethyl)phenoxy]-5,6,8,9-tetrahydrooxepino[4,5-c]pyridazine-4-carboxamide
CID 162357593
N-[2-(4-chlorophenyl)-2,2-difluoroethyl]-3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]cinnoline-4-carboxamide
CID 162357565
N-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)cinnoline-4-carboxamide
CID 46287953
2,4-dimethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78785997
2-chloro-N-[2-(2,4-dichlorophenyl)-2,2-difluoroethyl]benzamide
CID 125464994
1-(1,1-difluoropropyl)-2,4-dimethylbenzene
CID 116841228
N-[2,2-dimethyl-3-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 2334871
[2-(2,4-dimethylphenyl)-2-methylpropyl]carbamic acid
CID 115171380
3-(4-methylphenyl)-N-(pyridin-3-ylmethyl)cinnoline-4-carboxamide
CID 46287897
N-[(2R)-2-(2-chloro-4-methylphenyl)-2-fluoroethyl]-3-[3-(trifluoromethyl)phenoxy]quinoline-4-carboxamide
CID 162357631
N-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide
CID 115191406

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(2,4-dimethylphenyl)-2,2-difluoroethyl]cinnoline-4-carboxamide?
The IUPAC name of 3-chloro-N-[2-(2,4-dimethylphenyl)-2,2-difluoroethyl]cinnoline-4-carboxamide (CID 162357511) is 3-chloro-N-[2-(2,4-dimethylphenyl)-2,2-difluoroethyl]cinnoline-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[2-(2,4-dimethylphenyl)-2,2-difluoroethyl]cinnoline-4-carboxamide?
The canonical SMILES for 3-chloro-N-[2-(2,4-dimethylphenyl)-2,2-difluoroethyl]cinnoline-4-carboxamide is Cc1ccc(C(F)(F)CNC(=O)c2c(Cl)nnc3ccccc23)c(C)c1.
What is the InChIKey of 3-chloro-N-[2-(2,4-dimethylphenyl)-2,2-difluoroethyl]cinnoline-4-carboxamide?
The InChIKey is VNIBRWWKSUUOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF2N3O/c1-11-7-8-14(12(2)9-11)19(21,22)10-23-18(26)16-13-5-3-4-6-15(13)24-25-17(16)20/h3-9H,10H2,1-2H3,(H,23,26).
What are the key properties of 3-chloro-N-[2-(2,4-dimethylphenyl)-2,2-difluoroethyl]cinnoline-4-carboxamide?
3-chloro-N-[2-(2,4-dimethylphenyl)-2,2-difluoroethyl]cinnoline-4-carboxamide has a molecular weight of 375.81 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(2,4-dimethylphenyl)-2,2-difluoroethyl]cinnoline-4-carboxamide is sourced from PubChem (CID 162357511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).