5-chloro-2-methoxy-N-[2-(4-methoxy-N-methylanilino)ethyl]benzamide

C18H21ClN2O3 — CID 100530036

IUPAC5-chloro-2-methoxy-N-[2-(4-methoxy-N-methylanilino)ethyl]benzamide
SMILESCOc1ccc(N(C)CCNC(=O)c2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C18H21ClN2O3/c1-21(14-5-7-15(23-2)8-6-14)11-10-20-18(22)16-12-13(19)4-9-17(16)24-3/h4-9,12H,10-11H2,1-3H3,(H,20,22)
InChIKeyMGUHFXFHTCIOBL-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.22
Rot. Bonds7

About 5-chloro-2-methoxy-N-[2-(4-methoxy-N-methylanilino)ethyl]benzamide

5-chloro-2-methoxy-N-[2-(4-methoxy-N-methylanilino)ethyl]benzamide (PubChem CID 100530036) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[2-(4-methoxy-N-methylanilino)ethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[2-(4-methoxy-N-methylanilino)ethyl]benzamide
PubChem CID100530036
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name5-chloro-2-methoxy-N-[2-(4-methoxy-N-methylanilino)ethyl]benzamide
SMILESCOc1ccc(N(C)CCNC(=O)c2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C18H21ClN2O3/c1-21(14-5-7-15(23-2)8-6-14)11-10-20-18(22)16-12-13(19)4-9-17(16)24-3/h4-9,12H,10-11H2,1-3H3,(H,20,22)
InChIKeyMGUHFXFHTCIOBL-UHFFFAOYSA-N
XLogP3.22
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-chloro-N-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide
CID 110664507
N-[2-(4-chloro-N-methylanilino)ethyl]-3,5-dimethoxybenzamide
CID 110664504
5-chloro-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide
CID 9267207
5-chloro-N-[3-(diethylamino)propyl]-2-methoxybenzamide
CID 4632919
5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
CID 885064
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269
5-chloro-2-methoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62659575
5-chloro-N-[2-(diethylcarbamoylamino)ethyl]-2-methoxybenzamide
CID 108572238
5-chloro-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 110761198
5-chloro-N-hexyl-2-methoxybenzamide
CID 4106403
5-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 82994768
5-chloro-N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide
CID 108540892

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[2-(4-methoxy-N-methylanilino)ethyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[2-(4-methoxy-N-methylanilino)ethyl]benzamide (CID 100530036) is 5-chloro-2-methoxy-N-[2-(4-methoxy-N-methylanilino)ethyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[2-(4-methoxy-N-methylanilino)ethyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[2-(4-methoxy-N-methylanilino)ethyl]benzamide is COc1ccc(N(C)CCNC(=O)c2cc(Cl)ccc2OC)cc1.
What is the InChIKey of 5-chloro-2-methoxy-N-[2-(4-methoxy-N-methylanilino)ethyl]benzamide?
The InChIKey is MGUHFXFHTCIOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-21(14-5-7-15(23-2)8-6-14)11-10-20-18(22)16-12-13(19)4-9-17(16)24-3/h4-9,12H,10-11H2,1-3H3,(H,20,22).
What are the key properties of 5-chloro-2-methoxy-N-[2-(4-methoxy-N-methylanilino)ethyl]benzamide?
5-chloro-2-methoxy-N-[2-(4-methoxy-N-methylanilino)ethyl]benzamide has a molecular weight of 348.83 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[2-(4-methoxy-N-methylanilino)ethyl]benzamide is sourced from PubChem (CID 100530036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).