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

C18H19ClN2O3 — CID 7958626

IUPAC4-chloro-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O3/c1-3-21(18(23)13-7-9-14(19)10-8-13)12-17(22)20-15-5-4-6-16(11-15)24-2/h4-11H,3,12H2,1-2H3,(H,20,22)
InChIKeyOYQUJTCZCBMDRZ-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.45
Rot. Bonds6

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

4-chloro-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide (PubChem CID 7958626) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 4-chloro-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide
PubChem CID7958626
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name4-chloro-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O3/c1-3-21(18(23)13-7-9-14(19)10-8-13)12-17(22)20-15-5-4-6-16(11-15)24-2/h4-11H,3,12H2,1-2H3,(H,20,22)
InChIKeyOYQUJTCZCBMDRZ-UHFFFAOYSA-N
XLogP3.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-nitrobenzamide
CID 7769709
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide
CID 43011197
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methoxybenzamide
CID 17426138
2,4-dichloro-N-[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 30839710
2-[[2-(3-chlorophenoxy)acetyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 34778386
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 26353614
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 43011182
N-ethyl-2,3,4-trimethoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide
CID 55344386
3-(dipropylsulfamoyl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide
CID 4832393
3-N,3-N-diethyl-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109055870
4-[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]-N,N-dimethylbenzamide
CID 9025684
5-(3-chlorophenyl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide
CID 46417756

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide?
The IUPAC name of 4-chloro-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide (CID 7958626) is 4-chloro-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-chloro-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-chloro-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide is CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide?
The InChIKey is OYQUJTCZCBMDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-3-21(18(23)13-7-9-14(19)10-8-13)12-17(22)20-15-5-4-6-16(11-15)24-2/h4-11H,3,12H2,1-2H3,(H,20,22).
What are the key properties of 4-chloro-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide?
4-chloro-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide has a molecular weight of 346.81 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 7958626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).