N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide

C19H21ClN2O5 — CID 113001595

IUPACN-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CNC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H21ClN2O5/c1-11-7-14(16(26-3)9-13(11)20)22-18(23)10-21-19(24)12-5-6-15(25-2)17(8-12)27-4/h5-9H,10H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyPXOHXSCHGUFMHC-UHFFFAOYSA-N
MW392.84 g/mol
LogP3.04
Rot. Bonds7

About N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide

N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide (PubChem CID 113001595) has the molecular formula C19H21ClN2O5 and a molecular weight of 392.84 g/mol. Its IUPAC name is N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
PubChem CID113001595
Molecular FormulaC19H21ClN2O5
Molecular Weight392.84 g/mol
Exact Mass392.11
IUPAC NameN-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CNC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H21ClN2O5/c1-11-7-14(16(26-3)9-13(11)20)22-18(23)10-21-19(24)12-5-6-15(25-2)17(8-12)27-4/h5-9H,10H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyPXOHXSCHGUFMHC-UHFFFAOYSA-N
XLogP3.04
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 29154774
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-4-methylbenzamide
CID 9083792
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 17427883
N-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 46665369
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-ethylbutanamide
CID 113001589
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)acetamide
CID 24702273
3-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3-sulfanylidenepropanamide
CID 28942379
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 4799937
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 47205603
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(5-chloro-2-methoxyphenyl)propanediamide
CID 108955473
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-(2-fluorophenyl)acetamide
CID 113001609
N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60637672

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide (CID 113001595) is N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide is COc1cc(Cl)c(C)cc1NC(=O)CNC(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide?
The InChIKey is PXOHXSCHGUFMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O5/c1-11-7-14(16(26-3)9-13(11)20)22-18(23)10-21-19(24)12-5-6-15(25-2)17(8-12)27-4/h5-9H,10H2,1-4H3,(H,21,24)(H,22,23).
What are the key properties of N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide?
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide has a molecular weight of 392.84 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 113001595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).