N-(4-bromophenyl)-2-[3-(3-methylbutoxy)anilino]acetamide

C19H23BrN2O2 — CID 54825133

IUPACN-(4-bromophenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
SMILESCC(C)CCOc1cccc(NCC(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C19H23BrN2O2/c1-14(2)10-11-24-18-5-3-4-17(12-18)21-13-19(23)22-16-8-6-15(20)7-9-16/h3-9,12,14,21H,10-11,13H2,1-2H3,(H,22,23)
InChIKeyFMJRZZQKBKOKFL-UHFFFAOYSA-N
MW391.31 g/mol
LogP4.92
Rot. Bonds8

About N-(4-bromophenyl)-2-[3-(3-methylbutoxy)anilino]acetamide

N-(4-bromophenyl)-2-[3-(3-methylbutoxy)anilino]acetamide (PubChem CID 54825133) has the molecular formula C19H23BrN2O2 and a molecular weight of 391.31 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[3-(3-methylbutoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
PubChem CID54825133
Molecular FormulaC19H23BrN2O2
Molecular Weight391.31 g/mol
Exact Mass390.09
IUPAC NameN-(4-bromophenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
SMILESCC(C)CCOc1cccc(NCC(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C19H23BrN2O2/c1-14(2)10-11-24-18-5-3-4-17(12-18)21-13-19(23)22-16-8-6-15(20)7-9-16/h3-9,12,14,21H,10-11,13H2,1-2H3,(H,22,23)
InChIKeyFMJRZZQKBKOKFL-UHFFFAOYSA-N
XLogP4.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54824951
N-(3-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54824740
2-(3,4-dichloroanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide
CID 54811762
2-(3-chloroanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54809291
N-(4-bromophenyl)-2-(3-prop-2-enoxyanilino)acetamide
CID 54826542
N-(2-chlorophenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54825073
2-(3,5-dimethylanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54813449
N-[3-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54837285
N-ethyl-4-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54839290
2-(3-butoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54824959
N-[2-(2-ethoxyethoxy)phenyl]-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54824535
3-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54838866

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[3-(3-methylbutoxy)anilino]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[3-(3-methylbutoxy)anilino]acetamide (CID 54825133) is N-(4-bromophenyl)-2-[3-(3-methylbutoxy)anilino]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[3-(3-methylbutoxy)anilino]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[3-(3-methylbutoxy)anilino]acetamide is CC(C)CCOc1cccc(NCC(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of N-(4-bromophenyl)-2-[3-(3-methylbutoxy)anilino]acetamide?
The InChIKey is FMJRZZQKBKOKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O2/c1-14(2)10-11-24-18-5-3-4-17(12-18)21-13-19(23)22-16-8-6-15(20)7-9-16/h3-9,12,14,21H,10-11,13H2,1-2H3,(H,22,23).
What are the key properties of N-(4-bromophenyl)-2-[3-(3-methylbutoxy)anilino]acetamide?
N-(4-bromophenyl)-2-[3-(3-methylbutoxy)anilino]acetamide has a molecular weight of 391.31 g/mol, XLogP of 4.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[3-(3-methylbutoxy)anilino]acetamide is sourced from PubChem (CID 54825133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).