N-[(4-chlorophenyl)methyl]-2,2-dimethyl-N-pyrazin-2-ylpropanamide

C16H18ClN3O — CID 4563418

IUPACN-[(4-chlorophenyl)methyl]-2,2-dimethyl-N-pyrazin-2-ylpropanamide
SMILESCC(C)(C)C(=O)N(Cc1ccc(Cl)cc1)c1cnccn1
InChIInChI=1S/C16H18ClN3O/c1-16(2,3)15(21)20(14-10-18-8-9-19-14)11-12-4-6-13(17)7-5-12/h4-10H,11H2,1-3H3
InChIKeyFSGYWLQOZFSAAQ-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.71
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-2,2-dimethyl-N-pyrazin-2-ylpropanamide

N-[(4-chlorophenyl)methyl]-2,2-dimethyl-N-pyrazin-2-ylpropanamide (PubChem CID 4563418) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2,2-dimethyl-N-pyrazin-2-ylpropanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2,2-dimethyl-N-pyrazin-2-ylpropanamide
PubChem CID4563418
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC NameN-[(4-chlorophenyl)methyl]-2,2-dimethyl-N-pyrazin-2-ylpropanamide
SMILESCC(C)(C)C(=O)N(Cc1ccc(Cl)cc1)c1cnccn1
InChIInChI=1S/C16H18ClN3O/c1-16(2,3)15(21)20(14-10-18-8-9-19-14)11-12-4-6-13(17)7-5-12/h4-10H,11H2,1-3H3
InChIKeyFSGYWLQOZFSAAQ-UHFFFAOYSA-N
XLogP3.71
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3224181
N-[(4-chlorophenyl)methyl]pyrazin-2-amine
CID 3849617
4-chloro-N-pyrazin-2-ylbenzamide
CID 2799831
1-[(4-Chlorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one
CID 137348834
1-Pyrazin-2-yl-piperidine-4-carboxylic acid [2-(4-chloro-phenyl)-ethyl]-amide
CID 651219
(E)-3-(4-chlorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 5676813
(4-Chlorophenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 25848911
Heme Oxygenase-1-IN-2
CID 162640598
N-(4-chlorobenzyl)-N-(2-pyrazinyl)acetamide
CID 3525684
N-(4-chlorobenzyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3588381
N-(4-chlorobenzyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 23607861
(4-Chlorophenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 41812157

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2,2-dimethyl-N-pyrazin-2-ylpropanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2,2-dimethyl-N-pyrazin-2-ylpropanamide (CID 4563418) is N-[(4-chlorophenyl)methyl]-2,2-dimethyl-N-pyrazin-2-ylpropanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2,2-dimethyl-N-pyrazin-2-ylpropanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2,2-dimethyl-N-pyrazin-2-ylpropanamide is CC(C)(C)C(=O)N(Cc1ccc(Cl)cc1)c1cnccn1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2,2-dimethyl-N-pyrazin-2-ylpropanamide?
The InChIKey is FSGYWLQOZFSAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-16(2,3)15(21)20(14-10-18-8-9-19-14)11-12-4-6-13(17)7-5-12/h4-10H,11H2,1-3H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-2,2-dimethyl-N-pyrazin-2-ylpropanamide?
N-[(4-chlorophenyl)methyl]-2,2-dimethyl-N-pyrazin-2-ylpropanamide has a molecular weight of 303.79 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2,2-dimethyl-N-pyrazin-2-ylpropanamide is sourced from PubChem (CID 4563418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).