(Z)-3-[5-(3-bromophenyl)furan-2-yl]-N-carbamoyl-2-cyanoprop-2-enamide

C15H10BrN3O3 — CID 126239072

IUPAC(Z)-3-[5-(3-bromophenyl)furan-2-yl]-N-carbamoyl-2-cyanoprop-2-enamide
SMILESN#C/C(=C/c1ccc(-c2cccc(Br)c2)o1)C(=O)NC(N)=O
InChIInChI=1S/C15H10BrN3O3/c16-11-3-1-2-9(6-11)13-5-4-12(22-13)7-10(8-17)14(20)19-15(18)21/h1-7H,(H3,18,19,20,21)/b10-7-
InChIKeyIWGQCXCOZFKYHG-YFHOEESVSA-N
MW360.17 g/mol
LogP2.81
Rot. Bonds3

About (Z)-3-[5-(3-bromophenyl)furan-2-yl]-N-carbamoyl-2-cyanoprop-2-enamide

(Z)-3-[5-(3-bromophenyl)furan-2-yl]-N-carbamoyl-2-cyanoprop-2-enamide (PubChem CID 126239072) has the molecular formula C15H10BrN3O3 and a molecular weight of 360.17 g/mol. Its IUPAC name is (Z)-3-[5-(3-bromophenyl)furan-2-yl]-N-carbamoyl-2-cyanoprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[5-(3-bromophenyl)furan-2-yl]-N-carbamoyl-2-cyanoprop-2-enamide
PubChem CID126239072
Molecular FormulaC15H10BrN3O3
Molecular Weight360.17 g/mol
Exact Mass358.99
IUPAC Name(Z)-3-[5-(3-bromophenyl)furan-2-yl]-N-carbamoyl-2-cyanoprop-2-enamide
SMILESN#C/C(=C/c1ccc(-c2cccc(Br)c2)o1)C(=O)NC(N)=O
InChIInChI=1S/C15H10BrN3O3/c16-11-3-1-2-9(6-11)13-5-4-12(22-13)7-10(8-17)14(20)19-15(18)21/h1-7H,(H3,18,19,20,21)/b10-7-
InChIKeyIWGQCXCOZFKYHG-YFHOEESVSA-N
XLogP2.81
TPSA109.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.17
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[5-(3-bromophenyl)furan-2-yl]-2-cyano-N-(1,1-dioxothiolan-3-yl)prop-2-enamide
CID 3583813
4-[5-[(E)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
CID 1268983
3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enamide
CID 2866324
(Z)-2-cyano-3-[5-(3-fluorophenyl)furan-2-yl]-N-methylprop-2-enamide
CID 126025634
(Z)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 726345
(E)-N-(3-chlorophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enamide
CID 1372972
ethyl 2-[[(E)-3-[5-(3-bromophenyl)furan-2-yl]-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 21382144
(Z)-N-(4-chlorophenyl)-3-[5-(3-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enamide
CID 1124891
(Z)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N-(2,5-dimethylpyrrol-1-yl)prop-2-enamide
CID 126393568
(Z)-2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoic acid
CID 787027
N-benzyl-3-[5-(4-bromophenyl)furan-2-yl]-2-cyanoprop-2-enamide
CID 4736381
(Z)-N-benzyl-2-cyano-3-[5-(3-fluorophenyl)furan-2-yl]prop-2-enamide
CID 126023538

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[5-(3-bromophenyl)furan-2-yl]-N-carbamoyl-2-cyanoprop-2-enamide?
The IUPAC name of (Z)-3-[5-(3-bromophenyl)furan-2-yl]-N-carbamoyl-2-cyanoprop-2-enamide (CID 126239072) is (Z)-3-[5-(3-bromophenyl)furan-2-yl]-N-carbamoyl-2-cyanoprop-2-enamide.
What is the SMILES notation for (Z)-3-[5-(3-bromophenyl)furan-2-yl]-N-carbamoyl-2-cyanoprop-2-enamide?
The canonical SMILES for (Z)-3-[5-(3-bromophenyl)furan-2-yl]-N-carbamoyl-2-cyanoprop-2-enamide is N#C/C(=C/c1ccc(-c2cccc(Br)c2)o1)C(=O)NC(N)=O.
What is the InChIKey of (Z)-3-[5-(3-bromophenyl)furan-2-yl]-N-carbamoyl-2-cyanoprop-2-enamide?
The InChIKey is IWGQCXCOZFKYHG-YFHOEESVSA-N. The full InChI is InChI=1S/C15H10BrN3O3/c16-11-3-1-2-9(6-11)13-5-4-12(22-13)7-10(8-17)14(20)19-15(18)21/h1-7H,(H3,18,19,20,21)/b10-7-.
What are the key properties of (Z)-3-[5-(3-bromophenyl)furan-2-yl]-N-carbamoyl-2-cyanoprop-2-enamide?
(Z)-3-[5-(3-bromophenyl)furan-2-yl]-N-carbamoyl-2-cyanoprop-2-enamide has a molecular weight of 360.17 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[5-(3-bromophenyl)furan-2-yl]-N-carbamoyl-2-cyanoprop-2-enamide is sourced from PubChem (CID 126239072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).