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

C17H18ClN3O3 — CID 54846121

IUPAC4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NCC(=O)Nc2ccc(OC)c(Cl)c2)cc1
InChIInChI=1S/C17H18ClN3O3/c1-19-17(23)11-3-5-12(6-4-11)20-10-16(22)21-13-7-8-15(24-2)14(18)9-13/h3-9,20H,10H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyBDWBSMCKKMGNOP-UHFFFAOYSA-N
MW347.80 g/mol
LogP2.76
Rot. Bonds6

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

4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide (PubChem CID 54846121) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is 4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide
PubChem CID54846121
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Name4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NCC(=O)Nc2ccc(OC)c(Cl)c2)cc1
InChIInChI=1S/C17H18ClN3O3/c1-19-17(23)11-3-5-12(6-4-11)20-10-16(22)21-13-7-8-15(24-2)14(18)9-13/h3-9,20H,10H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyBDWBSMCKKMGNOP-UHFFFAOYSA-N
XLogP2.76
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)acetamide
CID 26416543
N-benzyl-4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54843765
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109008835
N-(3-chloro-4-methoxyphenyl)-2-(4-cyanoanilino)acetamide
CID 26437475
N-(3-chloro-4-methoxyphenyl)-2-[4-(diethylamino)anilino]acetamide
CID 109008840
2-(3-chloro-4-methoxyanilino)-N-(4-iodophenyl)acetamide
CID 26509562
N-(3-chloro-4-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 54816552
4-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methylbenzamide
CID 54814140
2-(3,4-dichloroanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9098792
N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-4-ethoxybenzamide
CID 8014586
N-methyl-3-[[2-[4-(methylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54846159
N-(3-chloro-4-methoxyphenyl)-2-[4-chloro-3-(trifluoromethyl)anilino]acetamide
CID 109008853

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide?
The IUPAC name of 4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide (CID 54846121) is 4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide.
What is the SMILES notation for 4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide?
The canonical SMILES for 4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide is CNC(=O)c1ccc(NCC(=O)Nc2ccc(OC)c(Cl)c2)cc1.
What is the InChIKey of 4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide?
The InChIKey is BDWBSMCKKMGNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-19-17(23)11-3-5-12(6-4-11)20-10-16(22)21-13-7-8-15(24-2)14(18)9-13/h3-9,20H,10H2,1-2H3,(H,19,23)(H,21,22).
What are the key properties of 4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide?
4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide has a molecular weight of 347.80 g/mol, XLogP of 2.76, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide is sourced from PubChem (CID 54846121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).