2-[(4-bromophenyl)methyl-[2-(3-chlorophenyl)acetyl]amino]-N-tert-butylpropanamide

C22H26BrClN2O2 — CID 133259564

IUPAC2-[(4-bromophenyl)methyl-[2-(3-chlorophenyl)acetyl]amino]-N-tert-butylpropanamide
SMILESCC(C(=O)NC(C)(C)C)N(Cc1ccc(Br)cc1)C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C22H26BrClN2O2/c1-15(21(28)25-22(2,3)4)26(14-16-8-10-18(23)11-9-16)20(27)13-17-6-5-7-19(24)12-17/h5-12,15H,13-14H2,1-4H3,(H,25,28)
InChIKeyFLIBVOSIOOQXHC-UHFFFAOYSA-N
MW465.82 g/mol
LogP4.98
Rot. Bonds6

About 2-[(4-bromophenyl)methyl-[2-(3-chlorophenyl)acetyl]amino]-N-tert-butylpropanamide

2-[(4-bromophenyl)methyl-[2-(3-chlorophenyl)acetyl]amino]-N-tert-butylpropanamide (PubChem CID 133259564) has the molecular formula C22H26BrClN2O2 and a molecular weight of 465.82 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-[2-(3-chlorophenyl)acetyl]amino]-N-tert-butylpropanamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-[2-(3-chlorophenyl)acetyl]amino]-N-tert-butylpropanamide
PubChem CID133259564
Molecular FormulaC22H26BrClN2O2
Molecular Weight465.82 g/mol
Exact Mass464.09
IUPAC Name2-[(4-bromophenyl)methyl-[2-(3-chlorophenyl)acetyl]amino]-N-tert-butylpropanamide
SMILESCC(C(=O)NC(C)(C)C)N(Cc1ccc(Br)cc1)C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C22H26BrClN2O2/c1-15(21(28)25-22(2,3)4)26(14-16-8-10-18(23)11-9-16)20(27)13-17-6-5-7-19(24)12-17/h5-12,15H,13-14H2,1-4H3,(H,25,28)
InChIKeyFLIBVOSIOOQXHC-UHFFFAOYSA-N
XLogP4.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.82
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-bromophenyl)methyl-[2-(4-chlorophenyl)acetyl]amino]-N-tert-butylpropanamide
CID 133145829
2-[(4-bromophenyl)methyl-[2-(3-chlorophenyl)acetyl]amino]-N-cyclopentylpropanamide
CID 133196486
N-tert-butyl-2-[[2-(3-chlorophenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide
CID 132708561
2-[(4-bromophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-N-tert-butylpropanamide
CID 133232735
N-tert-butyl-2-[(3-chlorophenyl)methyl-propanoylamino]propanamide
CID 133260357
2-[(3-bromophenyl)methyl-[2-(2,4-dichlorophenyl)acetyl]amino]-N-tert-butylpropanamide
CID 133146100
(2R)-2-[(3-bromophenyl)methyl-[2-(3-chlorophenyl)acetyl]amino]-N-methylpropanamide
CID 100645054
N-tert-butyl-2-[[2-(3-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 132702925
N-tert-butyl-2-[[2-(3,4-dichlorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 132712885
N-tert-butyl-2-[(3-chlorophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]propanamide
CID 133145508
2-[(4-bromophenyl)methyl-[2-(3-chlorophenyl)acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133173562
N-tert-butyl-2-[[2-(2,6-dichlorophenyl)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 132713867

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl-[2-(3-chlorophenyl)acetyl]amino]-N-tert-butylpropanamide?
The IUPAC name of 2-[(4-bromophenyl)methyl-[2-(3-chlorophenyl)acetyl]amino]-N-tert-butylpropanamide (CID 133259564) is 2-[(4-bromophenyl)methyl-[2-(3-chlorophenyl)acetyl]amino]-N-tert-butylpropanamide.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-[2-(3-chlorophenyl)acetyl]amino]-N-tert-butylpropanamide?
The canonical SMILES for 2-[(4-bromophenyl)methyl-[2-(3-chlorophenyl)acetyl]amino]-N-tert-butylpropanamide is CC(C(=O)NC(C)(C)C)N(Cc1ccc(Br)cc1)C(=O)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(4-bromophenyl)methyl-[2-(3-chlorophenyl)acetyl]amino]-N-tert-butylpropanamide?
The InChIKey is FLIBVOSIOOQXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26BrClN2O2/c1-15(21(28)25-22(2,3)4)26(14-16-8-10-18(23)11-9-16)20(27)13-17-6-5-7-19(24)12-17/h5-12,15H,13-14H2,1-4H3,(H,25,28).
What are the key properties of 2-[(4-bromophenyl)methyl-[2-(3-chlorophenyl)acetyl]amino]-N-tert-butylpropanamide?
2-[(4-bromophenyl)methyl-[2-(3-chlorophenyl)acetyl]amino]-N-tert-butylpropanamide has a molecular weight of 465.82 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl-[2-(3-chlorophenyl)acetyl]amino]-N-tert-butylpropanamide is sourced from PubChem (CID 133259564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).