5-chloro-N-[2-(dimethylamino)ethyl]-2-methoxy-N-(oxan-4-yl)benzamide

C17H25ClN2O3 — CID 90607046

IUPAC5-chloro-N-[2-(dimethylamino)ethyl]-2-methoxy-N-(oxan-4-yl)benzamide
SMILESCOc1ccc(Cl)cc1C(=O)N(CCN(C)C)C1CCOCC1
InChIInChI=1S/C17H25ClN2O3/c1-19(2)8-9-20(14-6-10-23-11-7-14)17(21)15-12-13(18)4-5-16(15)22-3/h4-5,12,14H,6-11H2,1-3H3
InChIKeyDPLLGQVRCWGNLK-UHFFFAOYSA-N
MW340.85 g/mol
LogP2.53
Rot. Bonds6

About 5-chloro-N-[2-(dimethylamino)ethyl]-2-methoxy-N-(oxan-4-yl)benzamide

5-chloro-N-[2-(dimethylamino)ethyl]-2-methoxy-N-(oxan-4-yl)benzamide (PubChem CID 90607046) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is 5-chloro-N-[2-(dimethylamino)ethyl]-2-methoxy-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name5-chloro-N-[2-(dimethylamino)ethyl]-2-methoxy-N-(oxan-4-yl)benzamide
PubChem CID90607046
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Name5-chloro-N-[2-(dimethylamino)ethyl]-2-methoxy-N-(oxan-4-yl)benzamide
SMILESCOc1ccc(Cl)cc1C(=O)N(CCN(C)C)C1CCOCC1
InChIInChI=1S/C17H25ClN2O3/c1-19(2)8-9-20(14-6-10-23-11-7-14)17(21)15-12-13(18)4-5-16(15)22-3/h4-5,12,14H,6-11H2,1-3H3
InChIKeyDPLLGQVRCWGNLK-UHFFFAOYSA-N
XLogP2.53
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-2,4-difluoro-N-(oxan-4-yl)benzamide
CID 90607094
4-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-methoxybenzamide
CID 55186100
1-(5-chloro-2-methoxyphenyl)-2-(oxan-4-yl)ethanone
CID 114969178
4-(5-chloro-2-methoxyphenyl)-N-ethyl-N-(oxan-4-yl)benzamide
CID 119071766
N-[2-(dimethylamino)ethyl]-3,4-difluoro-N-(oxan-4-yl)benzamide
CID 90607041
4-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-2-methoxybenzamide
CID 102867141
2-[(2,5-dichlorobenzoyl)-(oxan-4-yl)amino]acetic acid
CID 119211299
N-(2-bromoethyl)-5-chloro-2-methoxy-N-methylbenzamide
CID 80658337
3-[3-(5-chloro-2-methoxyphenyl)prop-2-enoyl-(oxan-4-yl)amino]propanoic acid
CID 126778173
5-chloro-N-[(2-hydroxycyclohexyl)methyl]-2-methoxy-N-methylbenzamide
CID 110003382
N-(2-bromoethyl)-5-chloro-N-ethyl-2-methoxybenzamide
CID 80661232
2,4-dimethoxy-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)benzamide
CID 90607312

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(dimethylamino)ethyl]-2-methoxy-N-(oxan-4-yl)benzamide?
The IUPAC name of 5-chloro-N-[2-(dimethylamino)ethyl]-2-methoxy-N-(oxan-4-yl)benzamide (CID 90607046) is 5-chloro-N-[2-(dimethylamino)ethyl]-2-methoxy-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 5-chloro-N-[2-(dimethylamino)ethyl]-2-methoxy-N-(oxan-4-yl)benzamide?
The canonical SMILES for 5-chloro-N-[2-(dimethylamino)ethyl]-2-methoxy-N-(oxan-4-yl)benzamide is COc1ccc(Cl)cc1C(=O)N(CCN(C)C)C1CCOCC1.
What is the InChIKey of 5-chloro-N-[2-(dimethylamino)ethyl]-2-methoxy-N-(oxan-4-yl)benzamide?
The InChIKey is DPLLGQVRCWGNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3/c1-19(2)8-9-20(14-6-10-23-11-7-14)17(21)15-12-13(18)4-5-16(15)22-3/h4-5,12,14H,6-11H2,1-3H3.
What are the key properties of 5-chloro-N-[2-(dimethylamino)ethyl]-2-methoxy-N-(oxan-4-yl)benzamide?
5-chloro-N-[2-(dimethylamino)ethyl]-2-methoxy-N-(oxan-4-yl)benzamide has a molecular weight of 340.85 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(dimethylamino)ethyl]-2-methoxy-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 90607046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).