N-[2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)ethyl]benzamide

C19H21ClN2O4 — CID 113063901

IUPACN-[2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)ethyl]benzamide
SMILESCOc1cc(N(CCNC(=O)c2ccccc2)C(C)=O)c(OC)cc1Cl
InChIInChI=1S/C19H21ClN2O4/c1-13(23)22(10-9-21-19(24)14-7-5-4-6-8-14)16-12-17(25-2)15(20)11-18(16)26-3/h4-8,11-12H,9-10H2,1-3H3,(H,21,24)
InChIKeyJWMWTPFFBMZOSF-UHFFFAOYSA-N
MW376.84 g/mol
LogP3.14
Rot. Bonds7

About N-[2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)ethyl]benzamide

N-[2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)ethyl]benzamide (PubChem CID 113063901) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is N-[2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)ethyl]benzamide
PubChem CID113063901
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC NameN-[2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)ethyl]benzamide
SMILESCOc1cc(N(CCNC(=O)c2ccccc2)C(C)=O)c(OC)cc1Cl
InChIInChI=1S/C19H21ClN2O4/c1-13(23)22(10-9-21-19(24)14-7-5-4-6-8-14)16-12-17(25-2)15(20)11-18(16)26-3/h4-8,11-12H,9-10H2,1-3H3,(H,21,24)
InChIKeyJWMWTPFFBMZOSF-UHFFFAOYSA-N
XLogP3.14
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]benzamide
CID 113060279
N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]-4-chlorobenzamide
CID 113060301
N-[2-(N-acetyl-2-chloroanilino)ethyl]-3,4-dimethoxybenzamide
CID 113059429
N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]benzamide
CID 113063841
N-[2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)ethyl]-2-(2-methylphenyl)acetamide
CID 113063961
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]benzamide
CID 113059892
N-[2-(N-acetyl-3-chloro-4-methoxyanilino)ethyl]-4-chlorobenzamide
CID 113060236
N-[2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)ethyl]-2-phenoxyacetamide
CID 113063953
N-[2-(N-acetyl-2-methoxyanilino)ethyl]-4-tert-butylbenzamide
CID 113060452
N-[2-(N-acetyl-2-phenoxyanilino)ethyl]benzamide
CID 113063434
N-[2-(N-acetyl-4-chloroanilino)ethyl]benzamide
CID 113059617
N-[2-(N-acetyl-3-chloroanilino)ethyl]benzamide
CID 113059514

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)ethyl]benzamide?
The IUPAC name of N-[2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)ethyl]benzamide (CID 113063901) is N-[2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)ethyl]benzamide.
What is the SMILES notation for N-[2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)ethyl]benzamide?
The canonical SMILES for N-[2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)ethyl]benzamide is COc1cc(N(CCNC(=O)c2ccccc2)C(C)=O)c(OC)cc1Cl.
What is the InChIKey of N-[2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)ethyl]benzamide?
The InChIKey is JWMWTPFFBMZOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c1-13(23)22(10-9-21-19(24)14-7-5-4-6-8-14)16-12-17(25-2)15(20)11-18(16)26-3/h4-8,11-12H,9-10H2,1-3H3,(H,21,24).
What are the key properties of N-[2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)ethyl]benzamide?
N-[2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)ethyl]benzamide has a molecular weight of 376.84 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)ethyl]benzamide is sourced from PubChem (CID 113063901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).