N-[2-(N-acetyl-4-ethylanilino)ethyl]-4-chlorobenzamide

C19H21ClN2O2 — CID 113058431

IUPACN-[2-(N-acetyl-4-ethylanilino)ethyl]-4-chlorobenzamide
SMILESCCc1ccc(N(CCNC(=O)c2ccc(Cl)cc2)C(C)=O)cc1
InChIInChI=1S/C19H21ClN2O2/c1-3-15-4-10-18(11-5-15)22(14(2)23)13-12-21-19(24)16-6-8-17(20)9-7-16/h4-11H,3,12-13H2,1-2H3,(H,21,24)
InChIKeyQPXXLCOJUFGJDW-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.69
Rot. Bonds6

About N-[2-(N-acetyl-4-ethylanilino)ethyl]-4-chlorobenzamide

N-[2-(N-acetyl-4-ethylanilino)ethyl]-4-chlorobenzamide (PubChem CID 113058431) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-[2-(N-acetyl-4-ethylanilino)ethyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-4-ethylanilino)ethyl]-4-chlorobenzamide
PubChem CID113058431
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN-[2-(N-acetyl-4-ethylanilino)ethyl]-4-chlorobenzamide
SMILESCCc1ccc(N(CCNC(=O)c2ccc(Cl)cc2)C(C)=O)cc1
InChIInChI=1S/C19H21ClN2O2/c1-3-15-4-10-18(11-5-15)22(14(2)23)13-12-21-19(24)16-6-8-17(20)9-7-16/h4-11H,3,12-13H2,1-2H3,(H,21,24)
InChIKeyQPXXLCOJUFGJDW-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(N-acetyl-4-chloroanilino)ethyl]benzamide
CID 113059617
N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-4-chlorobenzamide
CID 113061512
N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-ethylbenzamide
CID 134039912
N-[2-(N-acetyl-3-chloro-4-methoxyanilino)ethyl]-4-chlorobenzamide
CID 113060236
methyl N-[2-(N-acetyl-4-ethylanilino)ethyl]carbamate
CID 113058449
N-[2-(N-acetyl-3-chloro-4-fluoroanilino)ethyl]-4-fluorobenzamide
CID 113060070
N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-(4-chlorophenyl)acetamide
CID 113061827
methyl 4-[acetyl-[2-[(4-methylbenzoyl)amino]ethyl]amino]benzoate
CID 113062028
N-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-4-methylbenzamide
CID 113063724
N-[2-(N,4-diacetylanilino)ethyl]-4-fluorobenzamide
CID 113061648
methyl 4-[acetyl-[2-[(4-methoxybenzoyl)amino]ethyl]amino]benzoate
CID 113062034
3-(N-acetyl-4-chloroanilino)-N-(4-ethylphenyl)propanamide
CID 113127435

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-4-ethylanilino)ethyl]-4-chlorobenzamide?
The IUPAC name of N-[2-(N-acetyl-4-ethylanilino)ethyl]-4-chlorobenzamide (CID 113058431) is N-[2-(N-acetyl-4-ethylanilino)ethyl]-4-chlorobenzamide.
What is the SMILES notation for N-[2-(N-acetyl-4-ethylanilino)ethyl]-4-chlorobenzamide?
The canonical SMILES for N-[2-(N-acetyl-4-ethylanilino)ethyl]-4-chlorobenzamide is CCc1ccc(N(CCNC(=O)c2ccc(Cl)cc2)C(C)=O)cc1.
What is the InChIKey of N-[2-(N-acetyl-4-ethylanilino)ethyl]-4-chlorobenzamide?
The InChIKey is QPXXLCOJUFGJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-3-15-4-10-18(11-5-15)22(14(2)23)13-12-21-19(24)16-6-8-17(20)9-7-16/h4-11H,3,12-13H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(N-acetyl-4-ethylanilino)ethyl]-4-chlorobenzamide?
N-[2-(N-acetyl-4-ethylanilino)ethyl]-4-chlorobenzamide has a molecular weight of 344.84 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-4-ethylanilino)ethyl]-4-chlorobenzamide is sourced from PubChem (CID 113058431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).