N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-4-ethoxybenzamide

C18H19ClN2O4 — CID 8014586

IUPACN-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)Nc2ccc(OC)c(Cl)c2)cc1
InChIInChI=1S/C18H19ClN2O4/c1-3-25-14-7-4-12(5-8-14)18(23)20-11-17(22)21-13-6-9-16(24-2)15(19)10-13/h4-10H,3,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyUISPFADSSDAFOW-UHFFFAOYSA-N
MW362.81 g/mol
LogP3.12
Rot. Bonds7

About N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-4-ethoxybenzamide

N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-4-ethoxybenzamide (PubChem CID 8014586) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-4-ethoxybenzamide
PubChem CID8014586
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC NameN-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)Nc2ccc(OC)c(Cl)c2)cc1
InChIInChI=1S/C18H19ClN2O4/c1-3-25-14-7-4-12(5-8-14)18(23)20-11-17(22)21-13-6-9-16(24-2)15(19)10-13/h4-10H,3,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyUISPFADSSDAFOW-UHFFFAOYSA-N
XLogP3.12
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(4-ethoxyphenyl)acetamide
CID 26823011
N-[1-(3-chloro-4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 78630333
3-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)propanamide
CID 109039023
4-bromo-N-[2-(4-ethoxy-3-methoxyanilino)-2-oxoethyl]benzamide
CID 9102895
4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54846121
4-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide
CID 9416291
N-[2-(4-ethoxyanilino)-2-oxoethyl]-4-fluorobenzamide
CID 2967136
N-(3-chloro-4-methoxyphenyl)-2-(4-propanoylphenoxy)acetamide
CID 2709416
4-butoxy-N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]benzamide
CID 7973711
4-(2-anilino-2-oxoethoxy)-N-(3-chloro-4-methoxyphenyl)benzamide
CID 1191645
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 2367160
4-chloro-N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]benzamide
CID 7934807

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-4-ethoxybenzamide?
The IUPAC name of N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-4-ethoxybenzamide (CID 8014586) is N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-4-ethoxybenzamide?
The canonical SMILES for N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)NCC(=O)Nc2ccc(OC)c(Cl)c2)cc1.
What is the InChIKey of N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-4-ethoxybenzamide?
The InChIKey is UISPFADSSDAFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-3-25-14-7-4-12(5-8-14)18(23)20-11-17(22)21-13-6-9-16(24-2)15(19)10-13/h4-10H,3,11H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-4-ethoxybenzamide?
N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-4-ethoxybenzamide has a molecular weight of 362.81 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-4-ethoxybenzamide is sourced from PubChem (CID 8014586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).