N-[3-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide

C21H25BrN2O3 — CID 17189024

IUPACN-[3-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)COc2ccc(Br)cc2C(C)C)c1
InChIInChI=1S/C21H25BrN2O3/c1-13(2)18-10-15(22)8-9-19(18)27-12-20(25)23-16-6-5-7-17(11-16)24-21(26)14(3)4/h5-11,13-14H,12H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyYVPAHNGQQRXDHP-UHFFFAOYSA-N
MW433.35 g/mol
LogP5.18
Rot. Bonds7

About N-[3-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide

N-[3-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide (PubChem CID 17189024) has the molecular formula C21H25BrN2O3 and a molecular weight of 433.35 g/mol. Its IUPAC name is N-[3-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
PubChem CID17189024
Molecular FormulaC21H25BrN2O3
Molecular Weight433.35 g/mol
Exact Mass432.10
IUPAC NameN-[3-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)COc2ccc(Br)cc2C(C)C)c1
InChIInChI=1S/C21H25BrN2O3/c1-13(2)18-10-15(22)8-9-19(18)27-12-20(25)23-16-6-5-7-17(11-16)24-21(26)14(3)4/h5-11,13-14H,12H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyYVPAHNGQQRXDHP-UHFFFAOYSA-N
XLogP5.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.35
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide with MolForge

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Related Compounds

N-(3-bromophenyl)-2-(4-bromo-2-propan-2-ylphenoxy)acetamide
CID 17252223
2-(4-bromo-2-propan-2-ylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 17188857
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-phenylacetamide
CID 62369379
N-[3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
CID 17189191
N-[3-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]phenyl]-2-methylpropanamide
CID 17189164
2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 17188963
2-methyl-N-[3-[(2-naphthalen-1-yloxyacetyl)amino]phenyl]propanamide
CID 21213308
N-[5-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-2-methylphenyl]propanamide
CID 46761161
N-(3-bromophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 1181239
2-(4-bromo-2-propan-2-ylphenoxy)-N-(2-fluorophenyl)acetamide
CID 17188911
2-(4-bromo-2-methylphenoxy)-N-(3-chlorophenyl)acetamide
CID 3483118
N-[3-[[2-(2-tert-butylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
CID 17189278

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide (CID 17189024) is N-[3-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1cccc(NC(=O)COc2ccc(Br)cc2C(C)C)c1.
What is the InChIKey of N-[3-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide?
The InChIKey is YVPAHNGQQRXDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O3/c1-13(2)18-10-15(22)8-9-19(18)27-12-20(25)23-16-6-5-7-17(11-16)24-21(26)14(3)4/h5-11,13-14H,12H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N-[3-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide?
N-[3-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide has a molecular weight of 433.35 g/mol, XLogP of 5.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 17189024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).