N-(3-acetamidophenyl)-2-(N-acetyl-3-chloro-4-methoxyanilino)acetamide

C19H20ClN3O4 — CID 113172756

IUPACN-(3-acetamidophenyl)-2-(N-acetyl-3-chloro-4-methoxyanilino)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2cccc(NC(C)=O)c2)C(C)=O)cc1Cl
InChIInChI=1S/C19H20ClN3O4/c1-12(24)21-14-5-4-6-15(9-14)22-19(26)11-23(13(2)25)16-7-8-18(27-3)17(20)10-16/h4-10H,11H2,1-3H3,(H,21,24)(H,22,26)
InChIKeyALAHCBSKALLGKI-UHFFFAOYSA-N
MW389.84 g/mol
LogP3.30
Rot. Bonds6

About N-(3-acetamidophenyl)-2-(N-acetyl-3-chloro-4-methoxyanilino)acetamide

N-(3-acetamidophenyl)-2-(N-acetyl-3-chloro-4-methoxyanilino)acetamide (PubChem CID 113172756) has the molecular formula C19H20ClN3O4 and a molecular weight of 389.84 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-(N-acetyl-3-chloro-4-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-(N-acetyl-3-chloro-4-methoxyanilino)acetamide
PubChem CID113172756
Molecular FormulaC19H20ClN3O4
Molecular Weight389.84 g/mol
Exact Mass389.11
IUPAC NameN-(3-acetamidophenyl)-2-(N-acetyl-3-chloro-4-methoxyanilino)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2cccc(NC(C)=O)c2)C(C)=O)cc1Cl
InChIInChI=1S/C19H20ClN3O4/c1-12(24)21-14-5-4-6-15(9-14)22-19(26)11-23(13(2)25)16-7-8-18(27-3)17(20)10-16/h4-10H,11H2,1-3H3,(H,21,24)(H,22,26)
InChIKeyALAHCBSKALLGKI-UHFFFAOYSA-N
XLogP3.30
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-acetyl-3-chloro-4-methoxyanilino)-N-(2-methoxyphenyl)acetamide
CID 113172743
2-(N-acetyl-4-tert-butylanilino)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 113170654
2-(N-acetyl-3,4-dichloroanilino)-N-phenylacetamide
CID 113179470
3-(N-acetyl-3-chloro-4-methoxyanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113128420
2-(N-acetyl-3-chloro-4-methoxyanilino)-N-(2,4-dimethylphenyl)acetamide
CID 113172713
2-(3-acetamido-N-acetylanilino)-N-(4-acetamidophenyl)acetamide
CID 113175847
2-(N-acetyl-3-chloro-4-methoxyanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113172670
2-(3-acetamido-N-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113175826
2-(3-acetamido-N-acetylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113175802
2-(N-acetylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113167201
2-(N-acetyl-4-chloroanilino)-N-(3-chlorophenyl)acetamide
CID 113171584
3-(N-acetyl-2,6-dimethylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 113124924

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-(N-acetyl-3-chloro-4-methoxyanilino)acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-(N-acetyl-3-chloro-4-methoxyanilino)acetamide (CID 113172756) is N-(3-acetamidophenyl)-2-(N-acetyl-3-chloro-4-methoxyanilino)acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-(N-acetyl-3-chloro-4-methoxyanilino)acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-(N-acetyl-3-chloro-4-methoxyanilino)acetamide is COc1ccc(N(CC(=O)Nc2cccc(NC(C)=O)c2)C(C)=O)cc1Cl.
What is the InChIKey of N-(3-acetamidophenyl)-2-(N-acetyl-3-chloro-4-methoxyanilino)acetamide?
The InChIKey is ALAHCBSKALLGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4/c1-12(24)21-14-5-4-6-15(9-14)22-19(26)11-23(13(2)25)16-7-8-18(27-3)17(20)10-16/h4-10H,11H2,1-3H3,(H,21,24)(H,22,26).
What are the key properties of N-(3-acetamidophenyl)-2-(N-acetyl-3-chloro-4-methoxyanilino)acetamide?
N-(3-acetamidophenyl)-2-(N-acetyl-3-chloro-4-methoxyanilino)acetamide has a molecular weight of 389.84 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-(N-acetyl-3-chloro-4-methoxyanilino)acetamide is sourced from PubChem (CID 113172756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).