2-[(4-bromophenyl)methyl-[2-(3-chlorophenoxy)acetyl]amino]-N-methylpropanamide

C19H20BrClN2O3 — CID 132611712

IUPAC2-[(4-bromophenyl)methyl-[2-(3-chlorophenoxy)acetyl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)N(Cc1ccc(Br)cc1)C(=O)COc1cccc(Cl)c1
InChIInChI=1S/C19H20BrClN2O3/c1-13(19(25)22-2)23(11-14-6-8-15(20)9-7-14)18(24)12-26-17-5-3-4-16(21)10-17/h3-10,13H,11-12H2,1-2H3,(H,22,25)
InChIKeyYPDCECJCEKNUGL-UHFFFAOYSA-N
MW439.74 g/mol
LogP3.64
Rot. Bonds7

About 2-[(4-bromophenyl)methyl-[2-(3-chlorophenoxy)acetyl]amino]-N-methylpropanamide

2-[(4-bromophenyl)methyl-[2-(3-chlorophenoxy)acetyl]amino]-N-methylpropanamide (PubChem CID 132611712) has the molecular formula C19H20BrClN2O3 and a molecular weight of 439.74 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-[2-(3-chlorophenoxy)acetyl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-[2-(3-chlorophenoxy)acetyl]amino]-N-methylpropanamide
PubChem CID132611712
Molecular FormulaC19H20BrClN2O3
Molecular Weight439.74 g/mol
Exact Mass438.03
IUPAC Name2-[(4-bromophenyl)methyl-[2-(3-chlorophenoxy)acetyl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)N(Cc1ccc(Br)cc1)C(=O)COc1cccc(Cl)c1
InChIInChI=1S/C19H20BrClN2O3/c1-13(19(25)22-2)23(11-14-6-8-15(20)9-7-14)18(24)12-26-17-5-3-4-16(21)10-17/h3-10,13H,11-12H2,1-2H3,(H,22,25)
InChIKeyYPDCECJCEKNUGL-UHFFFAOYSA-N
XLogP3.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.74
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-(4-bromophenoxy)acetyl]-[(3-chlorophenyl)methyl]amino]-N-methylpropanamide
CID 100616980
2-[(4-bromophenyl)methyl-[2-(3-chlorophenoxy)acetyl]amino]-N-methyl-3-phenylpropanamide
CID 132621595
2-[[2-(3-chlorophenoxy)acetyl]-[(4-chlorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132667171
2-[(3-bromophenyl)methyl-[2-(3-chlorophenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 133200600
(2S)-2-[(3-chlorophenyl)methyl-[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylpropanamide
CID 100616464
2-[[2-(3-chlorophenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132662871
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(3-chlorophenoxy)acetyl]-[(4-chlorophenyl)methyl]amino]propanamide
CID 100566420
2-[[2-(3-chlorophenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-propylpropanamide
CID 132661921
(2R)-2-[(3-bromophenyl)methyl-[2-(3-chlorophenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 100730834
2-[(3-bromophenyl)methyl-[2-(3-chlorophenoxy)acetyl]amino]-N-butylpropanamide
CID 133151712
(2R)-2-[(3-chlorophenyl)methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-methylpropanamide
CID 100617677
N-butyl-2-[[2-(3-chlorophenoxy)acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 132708532

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl-[2-(3-chlorophenoxy)acetyl]amino]-N-methylpropanamide?
The IUPAC name of 2-[(4-bromophenyl)methyl-[2-(3-chlorophenoxy)acetyl]amino]-N-methylpropanamide (CID 132611712) is 2-[(4-bromophenyl)methyl-[2-(3-chlorophenoxy)acetyl]amino]-N-methylpropanamide.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-[2-(3-chlorophenoxy)acetyl]amino]-N-methylpropanamide?
The canonical SMILES for 2-[(4-bromophenyl)methyl-[2-(3-chlorophenoxy)acetyl]amino]-N-methylpropanamide is CNC(=O)C(C)N(Cc1ccc(Br)cc1)C(=O)COc1cccc(Cl)c1.
What is the InChIKey of 2-[(4-bromophenyl)methyl-[2-(3-chlorophenoxy)acetyl]amino]-N-methylpropanamide?
The InChIKey is YPDCECJCEKNUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrClN2O3/c1-13(19(25)22-2)23(11-14-6-8-15(20)9-7-14)18(24)12-26-17-5-3-4-16(21)10-17/h3-10,13H,11-12H2,1-2H3,(H,22,25).
What are the key properties of 2-[(4-bromophenyl)methyl-[2-(3-chlorophenoxy)acetyl]amino]-N-methylpropanamide?
2-[(4-bromophenyl)methyl-[2-(3-chlorophenoxy)acetyl]amino]-N-methylpropanamide has a molecular weight of 439.74 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl-[2-(3-chlorophenoxy)acetyl]amino]-N-methylpropanamide is sourced from PubChem (CID 132611712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).