(Z)-3-(3-bromoanilino)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide

C15H12BrN3O2 — CID 108863478

IUPAC(Z)-3-(3-bromoanilino)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
SMILESN#C/C(=C/Nc1cccc(Br)c1)C(=O)NCc1ccco1
InChIInChI=1S/C15H12BrN3O2/c16-12-3-1-4-13(7-12)18-9-11(8-17)15(20)19-10-14-5-2-6-21-14/h1-7,9,18H,10H2,(H,19,20)/b11-9-
InChIKeyCUDVPCHOVXCISS-LUAWRHEFSA-N
MW346.18 g/mol
LogP3.18
Rot. Bonds5

About (Z)-3-(3-bromoanilino)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide

(Z)-3-(3-bromoanilino)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide (PubChem CID 108863478) has the molecular formula C15H12BrN3O2 and a molecular weight of 346.18 g/mol. Its IUPAC name is (Z)-3-(3-bromoanilino)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(3-bromoanilino)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
PubChem CID108863478
Molecular FormulaC15H12BrN3O2
Molecular Weight346.18 g/mol
Exact Mass345.01
IUPAC Name(Z)-3-(3-bromoanilino)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
SMILESN#C/C(=C/Nc1cccc(Br)c1)C(=O)NCc1ccco1
InChIInChI=1S/C15H12BrN3O2/c16-12-3-1-4-13(7-12)18-9-11(8-17)15(20)19-10-14-5-2-6-21-14/h1-7,9,18H,10H2,(H,19,20)/b11-9-
InChIKeyCUDVPCHOVXCISS-LUAWRHEFSA-N
XLogP3.18
TPSA78.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 53.18
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

(Z)-2-cyano-N-(furan-2-ylmethyl)-3-(3-methylanilino)prop-2-enamide
CID 108863363
(Z)-2-cyano-3-(3,4-dichloroanilino)-N-(furan-2-ylmethyl)prop-2-enamide
CID 108863270
N'-(3-bromophenyl)-N-(furan-2-ylmethyl)oxamide
CID 47224195
(Z)-2-cyano-3-(3,4-diethoxyanilino)-N-(furan-2-ylmethyl)prop-2-enamide
CID 108863388
(Z)-2-cyano-N-(furan-2-ylmethyl)-3-(4-methoxyanilino)prop-2-enamide
CID 108863285
(Z)-3-(3-bromoanilino)-N-[(4-chlorophenyl)methyl]-2-cyanoprop-2-enamide
CID 108839732
(Z)-3-(3-bromoanilino)-2-cyano-N-propylprop-2-enamide
CID 108820383
(E)-3-(5-bromo-2-fluorophenyl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
CID 7480967
(Z)-2-cyano-3-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)prop-2-enamide
CID 108863279
(Z)-2-cyano-N-(furan-2-ylmethyl)-3-(2,4,4-trimethylpentan-2-ylamino)prop-2-enamide
CID 108863444
(Z)-2-cyano-N-(furan-2-ylmethyl)-3-(3-methylbutylamino)prop-2-enamide
CID 108863540
3-(5-chloro-2-methoxyanilino)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
CID 3841376

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-bromoanilino)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide?
The IUPAC name of (Z)-3-(3-bromoanilino)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide (CID 108863478) is (Z)-3-(3-bromoanilino)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(3-bromoanilino)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(3-bromoanilino)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide is N#C/C(=C/Nc1cccc(Br)c1)C(=O)NCc1ccco1.
What is the InChIKey of (Z)-3-(3-bromoanilino)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide?
The InChIKey is CUDVPCHOVXCISS-LUAWRHEFSA-N. The full InChI is InChI=1S/C15H12BrN3O2/c16-12-3-1-4-13(7-12)18-9-11(8-17)15(20)19-10-14-5-2-6-21-14/h1-7,9,18H,10H2,(H,19,20)/b11-9-.
What are the key properties of (Z)-3-(3-bromoanilino)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide?
(Z)-3-(3-bromoanilino)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide has a molecular weight of 346.18 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-bromoanilino)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 108863478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).