N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-chlorobenzamide

C19H21ClN2O2 — CID 113054251

IUPACN-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-chlorobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccccc1Cl)Cc1cccc(C)c1
InChIInChI=1S/C19H21ClN2O2/c1-14-6-5-7-16(12-14)13-22(15(2)23)11-10-21-19(24)17-8-3-4-9-18(17)20/h3-9,12H,10-11,13H2,1-2H3,(H,21,24)
InChIKeyOXUUZWOBAAIICI-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.43
Rot. Bonds6

About N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-chlorobenzamide

N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-chlorobenzamide (PubChem CID 113054251) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-chlorobenzamide
PubChem CID113054251
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-chlorobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccccc1Cl)Cc1cccc(C)c1
InChIInChI=1S/C19H21ClN2O2/c1-14-6-5-7-16(12-14)13-22(15(2)23)11-10-21-19(24)17-8-3-4-9-18(17)20/h3-9,12H,10-11,13H2,1-2H3,(H,21,24)
InChIKeyOXUUZWOBAAIICI-UHFFFAOYSA-N
XLogP3.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-ethylbutanamide
CID 113054219
N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-4-tert-butylbenzamide
CID 113054239
N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-2-chlorobenzamide
CID 113057694
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-chlorobenzamide
CID 113053554
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-chlorobenzamide
CID 113059832
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)propanamide
CID 113118703
N-[2-[acetyl-[3-(dimethylamino)propyl]amino]ethyl]-2-chlorobenzamide
CID 113053783
N-[2-(N-acetyl-2,6-dichloroanilino)ethyl]-2-(3-methylphenyl)acetamide
CID 113063810
N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113054259
N-[2-(N-acetyl-2,4-dichloroanilino)ethyl]-2-chlorobenzamide
CID 113063620
N-[2-[acetyl-[(4-methylphenyl)methyl]amino]ethyl]-3-chlorobenzamide
CID 113054357
N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-chlorobenzamide
CID 113053069

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-chlorobenzamide?
The IUPAC name of N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-chlorobenzamide (CID 113054251) is N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-chlorobenzamide.
What is the SMILES notation for N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-chlorobenzamide?
The canonical SMILES for N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-chlorobenzamide is CC(=O)N(CCNC(=O)c1ccccc1Cl)Cc1cccc(C)c1.
What is the InChIKey of N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-chlorobenzamide?
The InChIKey is OXUUZWOBAAIICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-14-6-5-7-16(12-14)13-22(15(2)23)11-10-21-19(24)17-8-3-4-9-18(17)20/h3-9,12H,10-11,13H2,1-2H3,(H,21,24).
What are the key properties of N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-chlorobenzamide?
N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-chlorobenzamide has a molecular weight of 344.84 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-chlorobenzamide is sourced from PubChem (CID 113054251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).