N-[(4-chlorophenyl)methyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide

C18H21ClN2O — CID 2726744

IUPACN-[(4-chlorophenyl)methyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(C)(C)C(=O)N(Cc1ccc(Cl)cc1)Cc1cccnc1
InChIInChI=1S/C18H21ClN2O/c1-18(2,3)17(22)21(13-15-5-4-10-20-11-15)12-14-6-8-16(19)9-7-14/h4-11H,12-13H2,1-3H3
InChIKeyODLLHVVGUDUEQM-UHFFFAOYSA-N
MW316.83 g/mol
LogP4.31
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide

N-[(4-chlorophenyl)methyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 2726744) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide
PubChem CID2726744
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC NameN-[(4-chlorophenyl)methyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCC(C)(C)C(=O)N(Cc1ccc(Cl)cc1)Cc1cccnc1
InChIInChI=1S/C18H21ClN2O/c1-18(2,3)17(22)21(13-15-5-4-10-20-11-15)12-14-6-8-16(19)9-7-14/h4-11H,12-13H2,1-3H3
InChIKeyODLLHVVGUDUEQM-UHFFFAOYSA-N
XLogP4.31
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(+-)-Chlorpheniramine
CID 2725
Dexchlorpheniramine
CID 33036
Sch 37370
CID 60680
N-[(6-chloropyridin-3-yl)methyl]-N-methylacetamide
CID 59843549
Sch 40338
CID 9950564
(-)-Chlorpheniramine
CID 716121
N-[(4-chlorophenyl)methyl]pyridine-3-carboxamide
CID 790421
3-(4-Chlorobenzyl)-2-(3-pyridyl)-1,3-thiazolan-4-one
CID 2731954
2'-Chloro-N-methyl-1,2,5,6-tetrahydro-3,4'-bipyridine hcl
CID 45262543
4-(4'-Chlorobenzyl)pyridine
CID 78124
4-(4-Chlorostyryl)pyridine
CID 735607
Cycliramine
CID 22017

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide (CID 2726744) is N-[(4-chlorophenyl)methyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide is CC(C)(C)C(=O)N(Cc1ccc(Cl)cc1)Cc1cccnc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is ODLLHVVGUDUEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-18(2,3)17(22)21(13-15-5-4-10-20-11-15)12-14-6-8-16(19)9-7-14/h4-11H,12-13H2,1-3H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide?
N-[(4-chlorophenyl)methyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 316.83 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2,2-dimethyl-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 2726744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).