N-[4-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]acetamide

C19H21BrN2O2 — CID 1126479

IUPACN-[4-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/N=C/c2cc(Br)cc(C(C)(C)C)c2O)cc1
InChIInChI=1S/C19H21BrN2O2/c1-12(23)22-16-7-5-15(6-8-16)21-11-13-9-14(20)10-17(18(13)24)19(2,3)4/h5-11,24H,1-4H3,(H,22,23)/b21-11+
InChIKeySMBRTXDGDIFJHU-SRZZPIQSSA-N
MW389.29 g/mol
LogP5.16
Rot. Bonds3

About N-[4-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]acetamide

N-[4-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]acetamide (PubChem CID 1126479) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is N-[4-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]acetamide
PubChem CID1126479
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC NameN-[4-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/N=C/c2cc(Br)cc(C(C)(C)C)c2O)cc1
InChIInChI=1S/C19H21BrN2O2/c1-12(23)22-16-7-5-15(6-8-16)21-11-13-9-14(20)10-17(18(13)24)19(2,3)4/h5-11,24H,1-4H3,(H,22,23)/b21-11+
InChIKeySMBRTXDGDIFJHU-SRZZPIQSSA-N
XLogP5.16
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.29
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-[[5-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]iminomethyl]-6-tert-butylphenol
CID 135405998
4-bromo-2-[[2-[2-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]-6-tert-butylphenol
CID 3095687
N-[4-[(5-bromo-3-chloro-2-hydroxyphenyl)methylideneamino]phenyl]propanamide
CID 4054098
N-[(E)-(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 135569410
N-[(Z)-(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 136914771
4-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2,6-ditert-butylphenol
CID 135590064
2,4-dibromo-6-[[4-[2-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]propan-2-yl]phenyl]iminomethyl]phenol
CID 4996119
4-bromo-2-[[1-[2-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-tert-butylphenol
CID 136702081
1-[(Z)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-3-phenylurea
CID 136690347
N-[4-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]phenyl]acetamide
CID 738975
N-[4-[(2,4-dimethoxyphenyl)methylideneamino]phenyl]acetamide
CID 690776
2-tert-butyl-6-[[3-[(3-tert-butyl-2-hydroxy-5-trimethylsilylphenyl)methylideneamino]phenyl]iminomethyl]-4-trimethylsilylphenol;cobalt(2+);diacetate
CID 173034032

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]acetamide?
The IUPAC name of N-[4-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]acetamide (CID 1126479) is N-[4-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]acetamide?
The canonical SMILES for N-[4-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]acetamide is CC(=O)Nc1ccc(/N=C/c2cc(Br)cc(C(C)(C)C)c2O)cc1.
What is the InChIKey of N-[4-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]acetamide?
The InChIKey is SMBRTXDGDIFJHU-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-12(23)22-16-7-5-15(6-8-16)21-11-13-9-14(20)10-17(18(13)24)19(2,3)4/h5-11,24H,1-4H3,(H,22,23)/b21-11+.
What are the key properties of N-[4-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]acetamide?
N-[4-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]acetamide has a molecular weight of 389.29 g/mol, XLogP of 5.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]acetamide is sourced from PubChem (CID 1126479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).