N-[2-[(2-chlorophenyl)methyl-methylamino]acetyl]-4-methoxybenzamide

C18H19ClN2O3 — CID 17395658

IUPACN-[2-[(2-chlorophenyl)methyl-methylamino]acetyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(=O)CN(C)Cc2ccccc2Cl)cc1
InChIInChI=1S/C18H19ClN2O3/c1-21(11-14-5-3-4-6-16(14)19)12-17(22)20-18(23)13-7-9-15(24-2)10-8-13/h3-10H,11-12H2,1-2H3,(H,20,22,23)
InChIKeyXVYPTEKHMFYILQ-UHFFFAOYSA-N
MW346.81 g/mol
LogP2.74
Rot. Bonds6

About N-[2-[(2-chlorophenyl)methyl-methylamino]acetyl]-4-methoxybenzamide

N-[2-[(2-chlorophenyl)methyl-methylamino]acetyl]-4-methoxybenzamide (PubChem CID 17395658) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)methyl-methylamino]acetyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)methyl-methylamino]acetyl]-4-methoxybenzamide
PubChem CID17395658
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-[2-[(2-chlorophenyl)methyl-methylamino]acetyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(=O)CN(C)Cc2ccccc2Cl)cc1
InChIInChI=1S/C18H19ClN2O3/c1-21(11-14-5-3-4-6-16(14)19)12-17(22)20-18(23)13-7-9-15(24-2)10-8-13/h3-10H,11-12H2,1-2H3,(H,20,22,23)
InChIKeyXVYPTEKHMFYILQ-UHFFFAOYSA-N
XLogP2.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[(2-chlorophenyl)methyl-methylamino]acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 4788052
N'-[2-(4-chlorophenoxy)acetyl]-2-[(2-chlorophenyl)methyl-methylamino]acetohydrazide
CID 8709687
N-(4-acetylphenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 9057922
2-[(2-chlorophenyl)methyl-methylamino]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 94897721
N-tert-butyl-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 8756656
N-[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetyl]-4-methoxybenzamide
CID 18196329
N-(2-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761356
1-(4-methoxyphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanone
CID 60650805
N-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 78768556
N-[(2-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 7510019
2-[(2-chlorophenyl)methyl-methylamino]-N-(2,3,5,6-tetrachlorophenyl)acetamide
CID 18282633
N-[(2R)-1-[(2-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 40720884

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorophenyl)methyl-methylamino]acetyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[(2-chlorophenyl)methyl-methylamino]acetyl]-4-methoxybenzamide (CID 17395658) is N-[2-[(2-chlorophenyl)methyl-methylamino]acetyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[(2-chlorophenyl)methyl-methylamino]acetyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[(2-chlorophenyl)methyl-methylamino]acetyl]-4-methoxybenzamide is COc1ccc(C(=O)NC(=O)CN(C)Cc2ccccc2Cl)cc1.
What is the InChIKey of N-[2-[(2-chlorophenyl)methyl-methylamino]acetyl]-4-methoxybenzamide?
The InChIKey is XVYPTEKHMFYILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-21(11-14-5-3-4-6-16(14)19)12-17(22)20-18(23)13-7-9-15(24-2)10-8-13/h3-10H,11-12H2,1-2H3,(H,20,22,23).
What are the key properties of N-[2-[(2-chlorophenyl)methyl-methylamino]acetyl]-4-methoxybenzamide?
N-[2-[(2-chlorophenyl)methyl-methylamino]acetyl]-4-methoxybenzamide has a molecular weight of 346.81 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorophenyl)methyl-methylamino]acetyl]-4-methoxybenzamide is sourced from PubChem (CID 17395658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).