N-(3-bromophenyl)-2-cyano-3-(3-hydroxyphenyl)prop-2-enamide

C16H11BrN2O2 — CID 2883454

IUPACN-(3-bromophenyl)-2-cyano-3-(3-hydroxyphenyl)prop-2-enamide
SMILESN#CC(=Cc1cccc(O)c1)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C16H11BrN2O2/c17-13-4-2-5-14(9-13)19-16(21)12(10-18)7-11-3-1-6-15(20)8-11/h1-9,20H,(H,19,21)
InChIKeyYJHMCXWWVBQWCC-UHFFFAOYSA-N
MW343.18 g/mol
LogP3.70
Rot. Bonds3

About N-(3-bromophenyl)-2-cyano-3-(3-hydroxyphenyl)prop-2-enamide

N-(3-bromophenyl)-2-cyano-3-(3-hydroxyphenyl)prop-2-enamide (PubChem CID 2883454) has the molecular formula C16H11BrN2O2 and a molecular weight of 343.18 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-cyano-3-(3-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-cyano-3-(3-hydroxyphenyl)prop-2-enamide
PubChem CID2883454
Molecular FormulaC16H11BrN2O2
Molecular Weight343.18 g/mol
Exact Mass342.00
IUPAC NameN-(3-bromophenyl)-2-cyano-3-(3-hydroxyphenyl)prop-2-enamide
SMILESN#CC(=Cc1cccc(O)c1)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C16H11BrN2O2/c17-13-4-2-5-14(9-13)19-16(21)12(10-18)7-11-3-1-6-15(20)8-11/h1-9,20H,(H,19,21)
InChIKeyYJHMCXWWVBQWCC-UHFFFAOYSA-N
XLogP3.70
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(E)-3-(3-bromophenyl)-2-cyano-N-phenylprop-2-enamide
CID 27114866
(E)-3-(3-bromophenyl)-N-(3-chlorophenyl)-2-cyanoprop-2-enamide
CID 27129765
N-(3-bromophenyl)-2-cyano-3-(4-hydroxy-3,5-dimethylphenyl)prop-2-enamide
CID 5244228
(E)-N-(3-bromophenyl)-3-(4-chlorophenyl)-2-cyanoprop-2-enamide
CID 1366410
2-cyano-N-(4-fluorophenyl)-3-(3-hydroxyphenyl)prop-2-enamide
CID 2874931
(Z)-3-(3-bromophenyl)-2-cyano-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 1268582
methyl 4-[(Z)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]benzoate
CID 124551858
3-(3-bromophenyl)-2-cyano-N-(3,4-dimethylphenyl)prop-2-enamide
CID 3362257
N-(3-bromophenyl)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 2790438
(E)-N-(3-chloro-4-methylphenyl)-2-cyano-3-(3-hydroxyphenyl)prop-2-enamide
CID 877231
2-[2-bromo-4-[(E)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]acetic acid
CID 1268974
(E)-N-(3-bromophenyl)-2-cyano-3-(2-hydroxy-3-methoxyphenyl)prop-2-enamide
CID 21229477

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-cyano-3-(3-hydroxyphenyl)prop-2-enamide?
The IUPAC name of N-(3-bromophenyl)-2-cyano-3-(3-hydroxyphenyl)prop-2-enamide (CID 2883454) is N-(3-bromophenyl)-2-cyano-3-(3-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(3-bromophenyl)-2-cyano-3-(3-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for N-(3-bromophenyl)-2-cyano-3-(3-hydroxyphenyl)prop-2-enamide is N#CC(=Cc1cccc(O)c1)C(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-cyano-3-(3-hydroxyphenyl)prop-2-enamide?
The InChIKey is YJHMCXWWVBQWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O2/c17-13-4-2-5-14(9-13)19-16(21)12(10-18)7-11-3-1-6-15(20)8-11/h1-9,20H,(H,19,21).
What are the key properties of N-(3-bromophenyl)-2-cyano-3-(3-hydroxyphenyl)prop-2-enamide?
N-(3-bromophenyl)-2-cyano-3-(3-hydroxyphenyl)prop-2-enamide has a molecular weight of 343.18 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-cyano-3-(3-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 2883454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).