(2R)-N-(4-acetamidophenyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide

C19H22ClN3O4 — CID 7831164

IUPAC(2R)-N-(4-acetamidophenyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide
SMILESCOc1cc(OC)c(N[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1Cl
InChIInChI=1S/C19H22ClN3O4/c1-11(21-16-9-15(20)17(26-3)10-18(16)27-4)19(25)23-14-7-5-13(6-8-14)22-12(2)24/h5-11,21H,1-4H3,(H,22,24)(H,23,25)/t11-/m1/s1
InChIKeySFBLZVMWJVYBPO-LLVKDONJSA-N
MW391.86 g/mol
LogP3.75
Rot. Bonds7

About (2R)-N-(4-acetamidophenyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide

(2R)-N-(4-acetamidophenyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide (PubChem CID 7831164) has the molecular formula C19H22ClN3O4 and a molecular weight of 391.86 g/mol. Its IUPAC name is (2R)-N-(4-acetamidophenyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-acetamidophenyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide
PubChem CID7831164
Molecular FormulaC19H22ClN3O4
Molecular Weight391.86 g/mol
Exact Mass391.13
IUPAC Name(2R)-N-(4-acetamidophenyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide
SMILESCOc1cc(OC)c(N[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1Cl
InChIInChI=1S/C19H22ClN3O4/c1-11(21-16-9-15(20)17(26-3)10-18(16)27-4)19(25)23-14-7-5-13(6-8-14)22-12(2)24/h5-11,21H,1-4H3,(H,22,24)(H,23,25)/t11-/m1/s1
InChIKeySFBLZVMWJVYBPO-LLVKDONJSA-N
XLogP3.75
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(5-chloro-2,4-dimethoxyanilino)-N-(4-methoxyphenyl)propanamide
CID 35960377
(2S)-2-(5-chloro-2,4-dimethoxyanilino)-N-(4-sulfamoylphenyl)propanamide
CID 8008354
2-(5-chloro-2,4-dimethoxyanilino)-N-(4-sulfamoylphenyl)propanamide
CID 4787331
(2R)-2-(5-acetamido-2-methoxyanilino)-N-(4-acetamidophenyl)propanamide
CID 9329057
2-(5-chloro-2,4-dimethoxyanilino)-N-methylpropanamide
CID 43085511
2-(5-acetamido-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 17416791
2-(4-acetamidoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 51242163
(2S)-N-(2-acetylphenyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide
CID 35960485
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-chloro-2,5-dimethoxyphenyl)propanamide
CID 55942705
N-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide
CID 108992307
2-(5-chloro-2,4-dimethoxyanilino)-N-(2-methoxyethyl)propanamide
CID 43088875
N-(5-chloro-2,4-dimethoxyphenyl)-2-(methylamino)propanamide
CID 62639099

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-acetamidophenyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide?
The IUPAC name of (2R)-N-(4-acetamidophenyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide (CID 7831164) is (2R)-N-(4-acetamidophenyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide.
What is the SMILES notation for (2R)-N-(4-acetamidophenyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide?
The canonical SMILES for (2R)-N-(4-acetamidophenyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide is COc1cc(OC)c(N[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1Cl.
What is the InChIKey of (2R)-N-(4-acetamidophenyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide?
The InChIKey is SFBLZVMWJVYBPO-LLVKDONJSA-N. The full InChI is InChI=1S/C19H22ClN3O4/c1-11(21-16-9-15(20)17(26-3)10-18(16)27-4)19(25)23-14-7-5-13(6-8-14)22-12(2)24/h5-11,21H,1-4H3,(H,22,24)(H,23,25)/t11-/m1/s1.
What are the key properties of (2R)-N-(4-acetamidophenyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide?
(2R)-N-(4-acetamidophenyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide has a molecular weight of 391.86 g/mol, XLogP of 3.75, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-acetamidophenyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide is sourced from PubChem (CID 7831164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).