N-[2-(3,5-dichloroanilino)-2-oxoethyl]-4-methylbenzamide

C16H14Cl2N2O2 — CID 46756068

IUPACN-[2-(3,5-dichloroanilino)-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C16H14Cl2N2O2/c1-10-2-4-11(5-3-10)16(22)19-9-15(21)20-14-7-12(17)6-13(18)8-14/h2-8H,9H2,1H3,(H,19,22)(H,20,21)
InChIKeyULGKEZGPXPLBNH-UHFFFAOYSA-N
MW337.21 g/mol
LogP3.67
Rot. Bonds4

About N-[2-(3,5-dichloroanilino)-2-oxoethyl]-4-methylbenzamide

N-[2-(3,5-dichloroanilino)-2-oxoethyl]-4-methylbenzamide (PubChem CID 46756068) has the molecular formula C16H14Cl2N2O2 and a molecular weight of 337.21 g/mol. Its IUPAC name is N-[2-(3,5-dichloroanilino)-2-oxoethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3,5-dichloroanilino)-2-oxoethyl]-4-methylbenzamide
PubChem CID46756068
Molecular FormulaC16H14Cl2N2O2
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC NameN-[2-(3,5-dichloroanilino)-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C16H14Cl2N2O2/c1-10-2-4-11(5-3-10)16(22)19-9-15(21)20-14-7-12(17)6-13(18)8-14/h2-8H,9H2,1H3,(H,19,22)(H,20,21)
InChIKeyULGKEZGPXPLBNH-UHFFFAOYSA-N
XLogP3.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 2989490
N-(2-anilino-2-oxoethyl)-4-methylbenzamide
CID 4010991
4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 54836247
N-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-methoxybenzamide
CID 46745605
N-[2-(3-acetylanilino)-2-oxoethyl]-4-methylbenzamide
CID 34830762
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-4-methylbenzamide
CID 26776083
N-[2-(3,5-dimethylanilino)-2-oxoethyl]-4-fluorobenzamide
CID 26696338
4-chloro-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]benzamide
CID 27258608
2-(4-chlorophenyl)-N-[2-(3,5-dichloroanilino)-2-oxoethyl]acetamide
CID 113001347
4-methyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 770701
N-[2-(2-hydroxyethylamino)-2-oxoethyl]-4-methylbenzamide
CID 43389073
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-4-methylbenzamide
CID 113000065

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dichloroanilino)-2-oxoethyl]-4-methylbenzamide?
The IUPAC name of N-[2-(3,5-dichloroanilino)-2-oxoethyl]-4-methylbenzamide (CID 46756068) is N-[2-(3,5-dichloroanilino)-2-oxoethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-(3,5-dichloroanilino)-2-oxoethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-(3,5-dichloroanilino)-2-oxoethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of N-[2-(3,5-dichloroanilino)-2-oxoethyl]-4-methylbenzamide?
The InChIKey is ULGKEZGPXPLBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2/c1-10-2-4-11(5-3-10)16(22)19-9-15(21)20-14-7-12(17)6-13(18)8-14/h2-8H,9H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-(3,5-dichloroanilino)-2-oxoethyl]-4-methylbenzamide?
N-[2-(3,5-dichloroanilino)-2-oxoethyl]-4-methylbenzamide has a molecular weight of 337.21 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dichloroanilino)-2-oxoethyl]-4-methylbenzamide is sourced from PubChem (CID 46756068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).