3-acetamido-3-(4-bromophenyl)-N-(5-chloro-2,4-dimethoxyphenyl)propanamide

C19H20BrClN2O4 — CID 112772747

IUPAC3-acetamido-3-(4-bromophenyl)-N-(5-chloro-2,4-dimethoxyphenyl)propanamide
SMILESCOc1cc(OC)c(NC(=O)CC(NC(C)=O)c2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C19H20BrClN2O4/c1-11(24)22-15(12-4-6-13(20)7-5-12)9-19(25)23-16-8-14(21)17(26-2)10-18(16)27-3/h4-8,10,15H,9H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyZXPTXVFRLKEDOR-UHFFFAOYSA-N
MW455.74 g/mol
LogP4.33
Rot. Bonds7

About 3-acetamido-3-(4-bromophenyl)-N-(5-chloro-2,4-dimethoxyphenyl)propanamide

3-acetamido-3-(4-bromophenyl)-N-(5-chloro-2,4-dimethoxyphenyl)propanamide (PubChem CID 112772747) has the molecular formula C19H20BrClN2O4 and a molecular weight of 455.74 g/mol. Its IUPAC name is 3-acetamido-3-(4-bromophenyl)-N-(5-chloro-2,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-bromophenyl)-N-(5-chloro-2,4-dimethoxyphenyl)propanamide
PubChem CID112772747
Molecular FormulaC19H20BrClN2O4
Molecular Weight455.74 g/mol
Exact Mass454.03
IUPAC Name3-acetamido-3-(4-bromophenyl)-N-(5-chloro-2,4-dimethoxyphenyl)propanamide
SMILESCOc1cc(OC)c(NC(=O)CC(NC(C)=O)c2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C19H20BrClN2O4/c1-11(24)22-15(12-4-6-13(20)7-5-12)9-19(25)23-16-8-14(21)17(26-2)10-18(16)27-3/h4-8,10,15H,9H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyZXPTXVFRLKEDOR-UHFFFAOYSA-N
XLogP4.33
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.74
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-acetamido-N-(4-chloro-2-methoxy-5-methylphenyl)-3-phenylpropanamide
CID 2564213
3-acetamido-3-(4-chlorophenyl)-N-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 51195428
(4-bromo-2-chlorophenyl) 3-acetamido-3-(4-methoxyphenyl)propanoate
CID 43038695
3-amino-N-(5-chloro-2,4-dimethoxyphenyl)butanamide
CID 60836807
3-acetamido-3-(4-bromophenyl)-N-(2-methylsulfanylphenyl)propanamide
CID 112811989
(3S)-3-acetamido-N-(2-methoxyphenyl)-3-phenylpropanamide
CID 41075346
N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxyacetamide
CID 836298
2-(4-bromophenoxy)-N-(5-chloro-2,4-dimethoxyphenyl)propanamide
CID 2953802
2-amino-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 24690060
3-acetamido-N-benzhydryl-3-(4-bromophenyl)propanamide
CID 112816640
3-acetamido-N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(4-methoxyphenyl)propanamide
CID 134027323
3-(aminomethyl)-N-(5-chloro-2,4-dimethoxyphenyl)pentanamide
CID 81070242

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-bromophenyl)-N-(5-chloro-2,4-dimethoxyphenyl)propanamide?
The IUPAC name of 3-acetamido-3-(4-bromophenyl)-N-(5-chloro-2,4-dimethoxyphenyl)propanamide (CID 112772747) is 3-acetamido-3-(4-bromophenyl)-N-(5-chloro-2,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-acetamido-3-(4-bromophenyl)-N-(5-chloro-2,4-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-acetamido-3-(4-bromophenyl)-N-(5-chloro-2,4-dimethoxyphenyl)propanamide is COc1cc(OC)c(NC(=O)CC(NC(C)=O)c2ccc(Br)cc2)cc1Cl.
What is the InChIKey of 3-acetamido-3-(4-bromophenyl)-N-(5-chloro-2,4-dimethoxyphenyl)propanamide?
The InChIKey is ZXPTXVFRLKEDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrClN2O4/c1-11(24)22-15(12-4-6-13(20)7-5-12)9-19(25)23-16-8-14(21)17(26-2)10-18(16)27-3/h4-8,10,15H,9H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 3-acetamido-3-(4-bromophenyl)-N-(5-chloro-2,4-dimethoxyphenyl)propanamide?
3-acetamido-3-(4-bromophenyl)-N-(5-chloro-2,4-dimethoxyphenyl)propanamide has a molecular weight of 455.74 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-bromophenyl)-N-(5-chloro-2,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 112772747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).