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

C17H17ClN2O2 — CID 26666234

IUPACN-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(=O)Nc2ccc(Cl)cc2C)c1
InChIInChI=1S/C17H17ClN2O2/c1-11-4-3-5-13(8-11)17(22)19-10-16(21)20-15-7-6-14(18)9-12(15)2/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyLEVQFFZFWBACTQ-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.33
Rot. Bonds4

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

N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-3-methylbenzamide (PubChem CID 26666234) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-3-methylbenzamide
PubChem CID26666234
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC NameN-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(=O)Nc2ccc(Cl)cc2C)c1
InChIInChI=1S/C17H17ClN2O2/c1-11-4-3-5-13(8-11)17(22)19-10-16(21)20-15-7-6-14(18)9-12(15)2/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyLEVQFFZFWBACTQ-UHFFFAOYSA-N
XLogP3.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-chloroanilino)-2-oxoethyl]-3-methylbenzamide
CID 9411308
3-chloro-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 772080
N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]-3-methylbenzamide
CID 9495518
N-[2-(2,4-difluoroanilino)-2-oxoethyl]-3-methylbenzamide
CID 9165041
3-bromo-N-[2-(2,4-dimethylanilino)-2-oxoethyl]benzamide
CID 26538678
N-[1-(4-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 55335504
3-chloro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 2113466
N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-fluorobenzamide
CID 26682013
N-[2-(2-ethylanilino)-2-oxoethyl]-3-methylbenzamide
CID 8699091
N-[2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 4188604
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-fluorobenzamide
CID 113001247
N-[2-(3-acetamidoanilino)-2-oxoethyl]-3-methylbenzamide
CID 26584037

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-3-methylbenzamide?
The IUPAC name of N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-3-methylbenzamide (CID 26666234) is N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-3-methylbenzamide is Cc1cccc(C(=O)NCC(=O)Nc2ccc(Cl)cc2C)c1.
What is the InChIKey of N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-3-methylbenzamide?
The InChIKey is LEVQFFZFWBACTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-11-4-3-5-13(8-11)17(22)19-10-16(21)20-15-7-6-14(18)9-12(15)2/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-3-methylbenzamide?
N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-3-methylbenzamide has a molecular weight of 316.79 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-3-methylbenzamide is sourced from PubChem (CID 26666234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).