N-[(3-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-(methoxymethyl)benzamide

C20H25ClN2O2 — CID 60598670

IUPACN-[(3-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)N(CCN(C)C)Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C20H25ClN2O2/c1-22(2)11-12-23(14-17-5-4-6-19(21)13-17)20(24)18-9-7-16(8-10-18)15-25-3/h4-10,13H,11-12,14-15H2,1-3H3
InChIKeyDVYFNQNOZPTRNT-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.69
Rot. Bonds8

About N-[(3-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-(methoxymethyl)benzamide

N-[(3-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-(methoxymethyl)benzamide (PubChem CID 60598670) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-(methoxymethyl)benzamide
PubChem CID60598670
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC NameN-[(3-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)N(CCN(C)C)Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C20H25ClN2O2/c1-22(2)11-12-23(14-17-5-4-6-19(21)13-17)20(24)18-9-7-16(8-10-18)15-25-3/h4-10,13H,11-12,14-15H2,1-3H3
InChIKeyDVYFNQNOZPTRNT-UHFFFAOYSA-N
XLogP3.69
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-(methoxymethyl)benzamide
CID 60598560
N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)benzamide
CID 51176578
N-(3-aminopropyl)-N-benzyl-4-(methoxymethyl)benzamide
CID 120649040
N-[(3-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-methylpent-2-enamide
CID 72687545
N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-4-methylsulfonylbenzamide
CID 51127416
N,N-bis(2-hydroxyethyl)-4-(methoxymethyl)benzamide
CID 61235842
1-[(3-chlorophenyl)methyl]-3,3-diethyl-1-methylurea
CID 115618548
N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 52819475
N-[(3-chlorophenyl)methyl]-N-ethyl-4-(pyrazol-1-ylmethyl)benzamide
CID 55594648
2-amino-N-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)acetamide
CID 39358840
N,N-dibenzyl-3-(methoxymethyl)benzamide
CID 55436683
3-[(3-chlorobenzoyl)-[2-(dimethylamino)ethyl]amino]propanoic acid
CID 82325352

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-(methoxymethyl)benzamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-(methoxymethyl)benzamide (CID 60598670) is N-[(3-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-(methoxymethyl)benzamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-(methoxymethyl)benzamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-(methoxymethyl)benzamide is COCc1ccc(C(=O)N(CCN(C)C)Cc2cccc(Cl)c2)cc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-(methoxymethyl)benzamide?
The InChIKey is DVYFNQNOZPTRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2/c1-22(2)11-12-23(14-17-5-4-6-19(21)13-17)20(24)18-9-7-16(8-10-18)15-25-3/h4-10,13H,11-12,14-15H2,1-3H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-(methoxymethyl)benzamide?
N-[(3-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-(methoxymethyl)benzamide has a molecular weight of 360.89 g/mol, XLogP of 3.69, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-(methoxymethyl)benzamide is sourced from PubChem (CID 60598670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).