[2-(but-2-enylamino)phenyl]-phenylmethanone

C17H17NO — CID 163414634

IUPAC[2-(but-2-enylamino)phenyl]-phenylmethanone
SMILESCC=CCNc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C17H17NO/c1-2-3-13-18-16-12-8-7-11-15(16)17(19)14-9-5-4-6-10-14/h2-12,18H,13H2,1H3
InChIKeyADIPPCRKVBFYFG-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.91
Rot. Bonds5

About [2-(but-2-enylamino)phenyl]-phenylmethanone

[2-(but-2-enylamino)phenyl]-phenylmethanone (PubChem CID 163414634) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is [2-(but-2-enylamino)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-(but-2-enylamino)phenyl]-phenylmethanone
PubChem CID163414634
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name[2-(but-2-enylamino)phenyl]-phenylmethanone
SMILESCC=CCNc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C17H17NO/c1-2-3-13-18-16-12-8-7-11-15(16)17(19)14-9-5-4-6-10-14/h2-12,18H,13H2,1H3
InChIKeyADIPPCRKVBFYFG-UHFFFAOYSA-N
XLogP3.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[2-(ethylamino)phenyl]-phenylmethanone
CID 3661027
(E)-N-(2-benzoylphenyl)but-2-enamide
CID 20555207
(2S)-2-(2-benzoylanilino)propanal
CID 90887440
2-(2-benzoylanilino)-1-(4-methylphenyl)ethanone
CID 110825945
phenyl-[2-(pyrimidin-2-ylmethylamino)phenyl]methanone
CID 119051507
N-(2-benzoylphenyl)-3-chloropropanamide
CID 25323415
2-(2-benzoylanilino)-1-(4-bromophenyl)ethanone
CID 110825563
N-(2-benzoylphenyl)-2-fluoroacetamide
CID 70589823
[2-ethoxy-3-(ethylamino)phenyl]-phenylmethanone
CID 67045669
diethyl 2-[(2-benzoylanilino)methylidene]propanedioate
CID 45050878
N-(2-benzoylphenyl)-2-oxo-2-phenylacetamide
CID 614189
1-benzoyl-2-(sulfinoamino)benzene
CID 23299444

Frequently Asked Questions

What is the IUPAC name of [2-(but-2-enylamino)phenyl]-phenylmethanone?
The IUPAC name of [2-(but-2-enylamino)phenyl]-phenylmethanone (CID 163414634) is [2-(but-2-enylamino)phenyl]-phenylmethanone.
What is the SMILES notation for [2-(but-2-enylamino)phenyl]-phenylmethanone?
The canonical SMILES for [2-(but-2-enylamino)phenyl]-phenylmethanone is CC=CCNc1ccccc1C(=O)c1ccccc1.
What is the InChIKey of [2-(but-2-enylamino)phenyl]-phenylmethanone?
The InChIKey is ADIPPCRKVBFYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-2-3-13-18-16-12-8-7-11-15(16)17(19)14-9-5-4-6-10-14/h2-12,18H,13H2,1H3.
What are the key properties of [2-(but-2-enylamino)phenyl]-phenylmethanone?
[2-(but-2-enylamino)phenyl]-phenylmethanone has a molecular weight of 251.33 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(but-2-enylamino)phenyl]-phenylmethanone is sourced from PubChem (CID 163414634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).