N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylbenzamide

C19H21ClN2O2 — CID 113059807

IUPACN-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylbenzamide
SMILESCC(=O)N(CCNC(=O)c1ccccc1C)c1cc(Cl)ccc1C
InChIInChI=1S/C19H21ClN2O2/c1-13-6-4-5-7-17(13)19(24)21-10-11-22(15(3)23)18-12-16(20)9-8-14(18)2/h4-9,12H,10-11H2,1-3H3,(H,21,24)
InChIKeyCLCPRUAYKQNSIX-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.74
Rot. Bonds5

About N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylbenzamide

N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylbenzamide (PubChem CID 113059807) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylbenzamide
PubChem CID113059807
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylbenzamide
SMILESCC(=O)N(CCNC(=O)c1ccccc1C)c1cc(Cl)ccc1C
InChIInChI=1S/C19H21ClN2O2/c1-13-6-4-5-7-17(13)19(24)21-10-11-22(15(3)23)18-12-16(20)9-8-14(18)2/h4-9,12H,10-11H2,1-3H3,(H,21,24)
InChIKeyCLCPRUAYKQNSIX-UHFFFAOYSA-N
XLogP3.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-chlorobenzamide
CID 113059832
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-2-fluorobenzamide
CID 113059896
N-[2-(N-acetyl-2,4-dichloroanilino)ethyl]-2-chlorobenzamide
CID 113063620
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-fluorobenzamide
CID 113059811
N-[2-(N-acetyl-2-methylanilino)ethyl]-2-fluorobenzamide
CID 113057297
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylpropanamide
CID 113059796
N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-2-chlorobenzamide
CID 113057694
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]benzamide
CID 113059892
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-methylbutanamide
CID 113059799
N-[2-(N-(5-chloro-2-methylphenyl)-2-methylanilino)-2-oxoethyl]-2-methylbenzamide
CID 153367755
N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]-2-methylbenzamide
CID 113061372
N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]-2,3,4-trifluorobenzamide
CID 113057810

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylbenzamide?
The IUPAC name of N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylbenzamide (CID 113059807) is N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylbenzamide is CC(=O)N(CCNC(=O)c1ccccc1C)c1cc(Cl)ccc1C.
What is the InChIKey of N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylbenzamide?
The InChIKey is CLCPRUAYKQNSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-13-6-4-5-7-17(13)19(24)21-10-11-22(15(3)23)18-12-16(20)9-8-14(18)2/h4-9,12H,10-11H2,1-3H3,(H,21,24).
What are the key properties of N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylbenzamide?
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylbenzamide has a molecular weight of 344.84 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylbenzamide is sourced from PubChem (CID 113059807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).