2-(3-chlorophenyl)-2-methyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]propanamide

C18H20ClN3O2 — CID 75372511

IUPAC2-(3-chlorophenyl)-2-methyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]propanamide
SMILESCC(C)(C(=O)NCC(=O)NCc1ccncc1)c1cccc(Cl)c1
InChIInChI=1S/C18H20ClN3O2/c1-18(2,14-4-3-5-15(19)10-14)17(24)22-12-16(23)21-11-13-6-8-20-9-7-13/h3-10H,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeySDTYMYBIBDCZKL-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.45
Rot. Bonds6

About 2-(3-chlorophenyl)-2-methyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]propanamide

2-(3-chlorophenyl)-2-methyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]propanamide (PubChem CID 75372511) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-methyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]propanamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-methyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]propanamide
PubChem CID75372511
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name2-(3-chlorophenyl)-2-methyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]propanamide
SMILESCC(C)(C(=O)NCC(=O)NCc1ccncc1)c1cccc(Cl)c1
InChIInChI=1S/C18H20ClN3O2/c1-18(2,14-4-3-5-15(19)10-14)17(24)22-12-16(23)21-11-13-6-8-20-9-7-13/h3-10H,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeySDTYMYBIBDCZKL-UHFFFAOYSA-N
XLogP2.45
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 110437648
2-(3-chlorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 110437654
2-(3-chlorophenyl)-N-(2-hydroxyethyl)-2-methylpropanamide
CID 110437674
2-(3-chlorophenyl)-2-methyl-N-propylpropanamide
CID 110437628
2-[4-chloro-2-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide
CID 108999863
5-[[[2-(3-chlorophenyl)-2-methylpropanoyl]amino]methyl]furan-2-carboxylic acid
CID 119245730
2-(3-methylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 108999782
2-(3-chlorophenyl)-2-methyl-N-(4-pyrrolidin-1-ylbutyl)propanamide
CID 110437684
N-[3-[2-(3-chlorophenyl)propan-2-ylamino]-3-oxopropyl]pyridine-4-carboxamide
CID 75372727
3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 4634724
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(pyridin-4-ylmethyl)acetamide
CID 112993156
2-amino-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]acetamide
CID 60848280

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-methyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]propanamide?
The IUPAC name of 2-(3-chlorophenyl)-2-methyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]propanamide (CID 75372511) is 2-(3-chlorophenyl)-2-methyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]propanamide.
What is the SMILES notation for 2-(3-chlorophenyl)-2-methyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]propanamide?
The canonical SMILES for 2-(3-chlorophenyl)-2-methyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]propanamide is CC(C)(C(=O)NCC(=O)NCc1ccncc1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-2-methyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]propanamide?
The InChIKey is SDTYMYBIBDCZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-18(2,14-4-3-5-15(19)10-14)17(24)22-12-16(23)21-11-13-6-8-20-9-7-13/h3-10H,11-12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2-(3-chlorophenyl)-2-methyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]propanamide?
2-(3-chlorophenyl)-2-methyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]propanamide has a molecular weight of 345.83 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-methyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]propanamide is sourced from PubChem (CID 75372511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).