N-[4-(2-chlorophenyl)-3-pyridinyl]-N,2,2-trimethylpropanamide

C17H19ClN2O — CID 20691980

IUPACN-[4-(2-chlorophenyl)-3-pyridinyl]-N,2,2-trimethylpropanamide
SMILESCN(C(=O)C(C)(C)C)c1cnccc1-c1ccccc1Cl
InChIInChI=1S/C17H19ClN2O/c1-17(2,3)16(21)20(4)15-11-19-10-9-13(15)12-7-5-6-8-14(12)18/h5-11H,1-4H3
InChIKeyUFMVQHSMEZTZMQ-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.41
Rot. Bonds2

About N-[4-(2-chlorophenyl)-3-pyridinyl]-N,2,2-trimethylpropanamide

N-[4-(2-chlorophenyl)-3-pyridinyl]-N,2,2-trimethylpropanamide (PubChem CID 20691980) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-[4-(2-chlorophenyl)-3-pyridinyl]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenyl)-3-pyridinyl]-N,2,2-trimethylpropanamide
PubChem CID20691980
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-[4-(2-chlorophenyl)-3-pyridinyl]-N,2,2-trimethylpropanamide
SMILESCN(C(=O)C(C)(C)C)c1cnccc1-c1ccccc1Cl
InChIInChI=1S/C17H19ClN2O/c1-17(2,3)16(21)20(4)15-11-19-10-9-13(15)12-7-5-6-8-14(12)18/h5-11H,1-4H3
InChIKeyUFMVQHSMEZTZMQ-UHFFFAOYSA-N
XLogP4.41
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(3-chloro-2-fluorophenyl)-3-pyridinyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 86670733
3-(2-chlorophenyl)pyridine-4-carboxylic acid
CID 53222992
methyl 2-[[3,5-bis(trifluoromethyl)benzoyl]-[4-(2-chlorophenyl)-3-pyridinyl]amino]acetate
CID 86670721
2-chloro-N-methyl-N-[4-(2-methylphenyl)-3-pyridinyl]-6-(trifluoromethyl)pyridine-4-carboxamide
CID 86670781
N-[6-chloro-4-(2-chlorophenyl)-3-pyridinyl]-2-(3-chloro-5-methoxyphenyl)-N,2-dimethylpropanamide
CID 86597669
2-(3-chloro-4-pyridinyl)phenol;ethane
CID 144591018
N-[4-(2-aminophenyl)-3-pyridinyl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 86670806
2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-(2-hydroxyethoxy)-3-pyridinyl]-N,2-dimethylpropanamide
CID 11584906
2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(2-chlorophenyl)-6-[[(2R)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-N,2-dimethylpropanamide
CID 87304259
2,2,2-trifluoro-N-methyl-N-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]phenyl]phenyl]acetamide
CID 162535694
4-(2-chlorophenyl)-N-(2,2,2-trifluoroethyl)pyridin-3-amine
CID 70663252
1-[4-(2-chlorophenyl)-3-pyridinyl]-N-methylmethanamine
CID 115824634

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenyl)-3-pyridinyl]-N,2,2-trimethylpropanamide?
The IUPAC name of N-[4-(2-chlorophenyl)-3-pyridinyl]-N,2,2-trimethylpropanamide (CID 20691980) is N-[4-(2-chlorophenyl)-3-pyridinyl]-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-[4-(2-chlorophenyl)-3-pyridinyl]-N,2,2-trimethylpropanamide?
The canonical SMILES for N-[4-(2-chlorophenyl)-3-pyridinyl]-N,2,2-trimethylpropanamide is CN(C(=O)C(C)(C)C)c1cnccc1-c1ccccc1Cl.
What is the InChIKey of N-[4-(2-chlorophenyl)-3-pyridinyl]-N,2,2-trimethylpropanamide?
The InChIKey is UFMVQHSMEZTZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-17(2,3)16(21)20(4)15-11-19-10-9-13(15)12-7-5-6-8-14(12)18/h5-11H,1-4H3.
What are the key properties of N-[4-(2-chlorophenyl)-3-pyridinyl]-N,2,2-trimethylpropanamide?
N-[4-(2-chlorophenyl)-3-pyridinyl]-N,2,2-trimethylpropanamide has a molecular weight of 302.81 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenyl)-3-pyridinyl]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 20691980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).