(4-amino-2-bromophenyl)-(2,4,5-trimethylfuran-3-yl)methanone

C14H14BrNO2 — CID 65152704

IUPAC(4-amino-2-bromophenyl)-(2,4,5-trimethylfuran-3-yl)methanone
SMILESCc1oc(C)c(C(=O)c2ccc(N)cc2Br)c1C
InChIInChI=1S/C14H14BrNO2/c1-7-8(2)18-9(3)13(7)14(17)11-5-4-10(16)6-12(11)15/h4-6H,16H2,1-3H3
InChIKeyJZDDCFDNFNWQCS-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.78
Rot. Bonds2

About (4-amino-2-bromophenyl)-(2,4,5-trimethylfuran-3-yl)methanone

(4-amino-2-bromophenyl)-(2,4,5-trimethylfuran-3-yl)methanone (PubChem CID 65152704) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is (4-amino-2-bromophenyl)-(2,4,5-trimethylfuran-3-yl)methanone.

Molecular Properties

Compound Name(4-amino-2-bromophenyl)-(2,4,5-trimethylfuran-3-yl)methanone
PubChem CID65152704
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name(4-amino-2-bromophenyl)-(2,4,5-trimethylfuran-3-yl)methanone
SMILESCc1oc(C)c(C(=O)c2ccc(N)cc2Br)c1C
InChIInChI=1S/C14H14BrNO2/c1-7-8(2)18-9(3)13(7)14(17)11-5-4-10(16)6-12(11)15/h4-6H,16H2,1-3H3
InChIKeyJZDDCFDNFNWQCS-UHFFFAOYSA-N
XLogP3.78
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-bromophenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 65151528
(2,4-dichlorophenyl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 65151835
(4-amino-2-bromophenyl)-(3-chloro-2-methylphenyl)methanone
CID 107100346
(4,5-dibromothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 80532415
(2-chloro-5-fluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 105396746
(5-bromo-4-methylthiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 79997136
naphthalen-1-yl-(2,4,5-trimethylfuran-3-yl)methanone
CID 65151492
N-[(5-amino-2-hydroxyphenyl)methyl]-2,4,5-trimethylfuran-3-carboxamide
CID 65151478
(5-bromo-4-chlorothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 80531550
4-amino-N-(2-aminoethyl)-2-bromobenzamide
CID 110487153
furan-3-yl-(2,4,5-trimethylfuran-3-yl)methanone
CID 114971760
(4-aminophenyl)-(2,4-dibromophenyl)methanone
CID 107957044

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-bromophenyl)-(2,4,5-trimethylfuran-3-yl)methanone?
The IUPAC name of (4-amino-2-bromophenyl)-(2,4,5-trimethylfuran-3-yl)methanone (CID 65152704) is (4-amino-2-bromophenyl)-(2,4,5-trimethylfuran-3-yl)methanone.
What is the SMILES notation for (4-amino-2-bromophenyl)-(2,4,5-trimethylfuran-3-yl)methanone?
The canonical SMILES for (4-amino-2-bromophenyl)-(2,4,5-trimethylfuran-3-yl)methanone is Cc1oc(C)c(C(=O)c2ccc(N)cc2Br)c1C.
What is the InChIKey of (4-amino-2-bromophenyl)-(2,4,5-trimethylfuran-3-yl)methanone?
The InChIKey is JZDDCFDNFNWQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-7-8(2)18-9(3)13(7)14(17)11-5-4-10(16)6-12(11)15/h4-6H,16H2,1-3H3.
What are the key properties of (4-amino-2-bromophenyl)-(2,4,5-trimethylfuran-3-yl)methanone?
(4-amino-2-bromophenyl)-(2,4,5-trimethylfuran-3-yl)methanone has a molecular weight of 308.18 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-bromophenyl)-(2,4,5-trimethylfuran-3-yl)methanone is sourced from PubChem (CID 65152704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).