N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide

C22H21Cl2N3O — CID 55410574

IUPACN-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CNC(c1ccccc1)c1ccccn1
InChIInChI=1S/C22H21Cl2N3O/c1-27(15-16-10-11-18(23)19(24)13-16)21(28)14-26-22(17-7-3-2-4-8-17)20-9-5-6-12-25-20/h2-13,22,26H,14-15H2,1H3
InChIKeySNHOGDRLLCTFIP-UHFFFAOYSA-N
MW414.34 g/mol
LogP4.73
Rot. Bonds7

About N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide

N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide (PubChem CID 55410574) has the molecular formula C22H21Cl2N3O and a molecular weight of 414.34 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide
PubChem CID55410574
Molecular FormulaC22H21Cl2N3O
Molecular Weight414.34 g/mol
Exact Mass413.11
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CNC(c1ccccc1)c1ccccn1
InChIInChI=1S/C22H21Cl2N3O/c1-27(15-16-10-11-18(23)19(24)13-16)21(28)14-26-22(17-7-3-2-4-8-17)20-9-5-6-12-25-20/h2-13,22,26H,14-15H2,1H3
InChIKeySNHOGDRLLCTFIP-UHFFFAOYSA-N
XLogP4.73
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.34
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(1-phenylethyl)-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 55410573
ethyl 2-[[phenyl(pyridin-2-yl)methyl]amino]acetate
CID 60681847
N-[(1R)-1-phenylethyl]-2-[[(R)-phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 32725839
N-[(1R)-1-phenylethyl]-2-[[(S)-phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 32725829
1-(3,4-dichlorophenyl)-N-[phenyl(pyridin-2-yl)methyl]methanesulfonamide
CID 56581941
2-[[(S)-phenyl(pyridin-2-yl)methyl]amino]-N-propylacetamide
CID 34156353
2-[[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772570
2-(3,4-dichlorophenyl)-N-(1-pyridin-2-ylethyl)acetamide
CID 47097455
3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride
CID 119683610
2-(benzhydrylamino)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 24648715
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide
CID 27666006
2-naphthalen-2-yl-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 42999680

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide (CID 55410574) is N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide is CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CNC(c1ccccc1)c1ccccn1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide?
The InChIKey is SNHOGDRLLCTFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N3O/c1-27(15-16-10-11-18(23)19(24)13-16)21(28)14-26-22(17-7-3-2-4-8-17)20-9-5-6-12-25-20/h2-13,22,26H,14-15H2,1H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide?
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide has a molecular weight of 414.34 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 55410574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).