N-(4-bromophenyl)-3-(3-phenoxyphenyl)prop-2-enamide

C21H16BrNO2 — CID 4169968

IUPACN-(4-bromophenyl)-3-(3-phenoxyphenyl)prop-2-enamide
SMILESO=C(C=Cc1cccc(Oc2ccccc2)c1)Nc1ccc(Br)cc1
InChIInChI=1S/C21H16BrNO2/c22-17-10-12-18(13-11-17)23-21(24)14-9-16-5-4-8-20(15-16)25-19-6-2-1-3-7-19/h1-15H,(H,23,24)
InChIKeyYDVDSJTWYVFUMQ-UHFFFAOYSA-N
MW394.27 g/mol
LogP5.89
Rot. Bonds5

About N-(4-bromophenyl)-3-(3-phenoxyphenyl)prop-2-enamide

N-(4-bromophenyl)-3-(3-phenoxyphenyl)prop-2-enamide (PubChem CID 4169968) has the molecular formula C21H16BrNO2 and a molecular weight of 394.27 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-(3-phenoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-(3-phenoxyphenyl)prop-2-enamide
PubChem CID4169968
Molecular FormulaC21H16BrNO2
Molecular Weight394.27 g/mol
Exact Mass393.04
IUPAC NameN-(4-bromophenyl)-3-(3-phenoxyphenyl)prop-2-enamide
SMILESO=C(C=Cc1cccc(Oc2ccccc2)c1)Nc1ccc(Br)cc1
InChIInChI=1S/C21H16BrNO2/c22-17-10-12-18(13-11-17)23-21(24)14-9-16-5-4-8-20(15-16)25-19-6-2-1-3-7-19/h1-15H,(H,23,24)
InChIKeyYDVDSJTWYVFUMQ-UHFFFAOYSA-N
XLogP5.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.27
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(4-methylphenyl)-3-(3-phenoxyphenyl)prop-2-enamide
CID 126478080
3-(3-bromophenyl)-N-phenylprop-2-enamide
CID 73014355
(E)-3-(4-methylphenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 898659
3-(4-chlorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 892966
N-(4-bromophenyl)-3-phenoxybenzamide
CID 1318843
methyl (E)-3-(3-phenoxyphenyl)prop-2-enoate
CID 10422431
3-(4-bromophenyl)-N-[3-[3-(4-bromophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 4198412
(E)-3-(4-bromophenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 1001546
3-(4-bromophenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 1001544
3-(4-tert-butylphenyl)-N-(3-phenoxyphenyl)prop-2-enamide
CID 76617235
4-[4-(4-bromophenoxy)anilino]-4-oxobut-2-enoate
CID 7039727
(Z)-3-(3-methylphenyl)-N-phenylprop-2-enamide
CID 97305777

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-(3-phenoxyphenyl)prop-2-enamide?
The IUPAC name of N-(4-bromophenyl)-3-(3-phenoxyphenyl)prop-2-enamide (CID 4169968) is N-(4-bromophenyl)-3-(3-phenoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(4-bromophenyl)-3-(3-phenoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(4-bromophenyl)-3-(3-phenoxyphenyl)prop-2-enamide is O=C(C=Cc1cccc(Oc2ccccc2)c1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-3-(3-phenoxyphenyl)prop-2-enamide?
The InChIKey is YDVDSJTWYVFUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrNO2/c22-17-10-12-18(13-11-17)23-21(24)14-9-16-5-4-8-20(15-16)25-19-6-2-1-3-7-19/h1-15H,(H,23,24).
What are the key properties of N-(4-bromophenyl)-3-(3-phenoxyphenyl)prop-2-enamide?
N-(4-bromophenyl)-3-(3-phenoxyphenyl)prop-2-enamide has a molecular weight of 394.27 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-(3-phenoxyphenyl)prop-2-enamide is sourced from PubChem (CID 4169968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).