N-[2-(2-chloroanilino)-2-oxoethyl]-3,5-dimethoxybenzamide

C17H17ClN2O4 — CID 112997742

IUPACN-[2-(2-chloroanilino)-2-oxoethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCC(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C17H17ClN2O4/c1-23-12-7-11(8-13(9-12)24-2)17(22)19-10-16(21)20-15-6-4-3-5-14(15)18/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyRHSBJONQGAFJRH-UHFFFAOYSA-N
MW348.79 g/mol
LogP2.73
Rot. Bonds6

About N-[2-(2-chloroanilino)-2-oxoethyl]-3,5-dimethoxybenzamide

N-[2-(2-chloroanilino)-2-oxoethyl]-3,5-dimethoxybenzamide (PubChem CID 112997742) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is N-[2-(2-chloroanilino)-2-oxoethyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-chloroanilino)-2-oxoethyl]-3,5-dimethoxybenzamide
PubChem CID112997742
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC NameN-[2-(2-chloroanilino)-2-oxoethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCC(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C17H17ClN2O4/c1-23-12-7-11(8-13(9-12)24-2)17(22)19-10-16(21)20-15-6-4-3-5-14(15)18/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyRHSBJONQGAFJRH-UHFFFAOYSA-N
XLogP2.73
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-3,5-dimethoxybenzamide
CID 835443
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 7884459
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-3,5-dimethoxybenzamide
CID 112998400
N-[2-(2-chloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9411325
N-[2-(2-chloroanilino)-2-oxoethyl]-3-methylbenzamide
CID 9411308
N-[(2-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 881091
N-(3-chloro-2-methylphenyl)-3,5-dimethoxybenzamide
CID 795808
N-(2-chlorophenyl)-2-(4-methoxy-2-methylanilino)acetamide
CID 62871342
methyl 3-[(2-benzamidoacetyl)amino]-4-chlorobenzoate
CID 110666935
N-[2-(2-tert-butylanilino)-2-oxoethyl]-3-methoxybenzamide
CID 112997486
N-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-methoxybenzamide
CID 46745605
3,5-dimethoxy-N-[3-(2-methoxyanilino)-3-oxopropyl]benzamide
CID 17191665

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-(2-chloroanilino)-2-oxoethyl]-3,5-dimethoxybenzamide (CID 112997742) is N-[2-(2-chloroanilino)-2-oxoethyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-(2-chloroanilino)-2-oxoethyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-(2-chloroanilino)-2-oxoethyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCC(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of N-[2-(2-chloroanilino)-2-oxoethyl]-3,5-dimethoxybenzamide?
The InChIKey is RHSBJONQGAFJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-23-12-7-11(8-13(9-12)24-2)17(22)19-10-16(21)20-15-6-4-3-5-14(15)18/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-(2-chloroanilino)-2-oxoethyl]-3,5-dimethoxybenzamide?
N-[2-(2-chloroanilino)-2-oxoethyl]-3,5-dimethoxybenzamide has a molecular weight of 348.79 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroanilino)-2-oxoethyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 112997742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).