3-(N-acetyl-2-methoxy-5-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide

C19H20ClFN2O3 — CID 113129632

IUPAC3-(N-acetyl-2-methoxy-5-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
SMILESCOc1ccc(C)cc1N(CCC(=O)Nc1ccc(F)c(Cl)c1)C(C)=O
InChIInChI=1S/C19H20ClFN2O3/c1-12-4-7-18(26-3)17(10-12)23(13(2)24)9-8-19(25)22-14-5-6-16(21)15(20)11-14/h4-7,10-11H,8-9H2,1-3H3,(H,22,25)
InChIKeyHMNNPELXZQFBKE-UHFFFAOYSA-N
MW378.83 g/mol
LogP4.18
Rot. Bonds6

About 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide

3-(N-acetyl-2-methoxy-5-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide (PubChem CID 113129632) has the molecular formula C19H20ClFN2O3 and a molecular weight of 378.83 g/mol. Its IUPAC name is 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-methoxy-5-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
PubChem CID113129632
Molecular FormulaC19H20ClFN2O3
Molecular Weight378.83 g/mol
Exact Mass378.11
IUPAC Name3-(N-acetyl-2-methoxy-5-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
SMILESCOc1ccc(C)cc1N(CCC(=O)Nc1ccc(F)c(Cl)c1)C(C)=O
InChIInChI=1S/C19H20ClFN2O3/c1-12-4-7-18(26-3)17(10-12)23(13(2)24)9-8-19(25)22-14-5-6-16(21)15(20)11-14/h4-7,10-11H,8-9H2,1-3H3,(H,22,25)
InChIKeyHMNNPELXZQFBKE-UHFFFAOYSA-N
XLogP4.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.83
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-2-methoxyanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113128810
3-(N-acetyl-2-methoxy-5-methylanilino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113129649
3-(N-acetyl-3-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113123846
3-(N-acetyl-2-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113123651
3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113128529
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(4-cyanophenyl)propanamide
CID 113129676
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2,3-dichlorophenyl)propanamide
CID 113129672
3-(N-acetyl-2-methoxyanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113128809
2-(N-acetyl-2,5-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113168163
3-(N-acetyl-2,4-dichloroanilino)-N-(2-methoxy-5-methylphenyl)propanamide
CID 113133925
2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113180373
3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(1,3-benzodioxol-5-yl)propanamide
CID 113128561

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide (CID 113129632) is 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide is COc1ccc(C)cc1N(CCC(=O)Nc1ccc(F)c(Cl)c1)C(C)=O.
What is the InChIKey of 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide?
The InChIKey is HMNNPELXZQFBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O3/c1-12-4-7-18(26-3)17(10-12)23(13(2)24)9-8-19(25)22-14-5-6-16(21)15(20)11-14/h4-7,10-11H,8-9H2,1-3H3,(H,22,25).
What are the key properties of 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide?
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide has a molecular weight of 378.83 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-methoxy-5-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide is sourced from PubChem (CID 113129632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).