2-(3-chlorobut-2-enylamino)-N-phenylbenzamide

C17H17ClN2O — CID 71333026

IUPAC2-(3-chlorobut-2-enylamino)-N-phenylbenzamide
SMILESCC(Cl)=CCNc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C17H17ClN2O/c1-13(18)11-12-19-16-10-6-5-9-15(16)17(21)20-14-7-3-2-4-8-14/h2-11,19H,12H2,1H3,(H,20,21)
InChIKeyOFHYXHQQQOXKTH-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.49
Rot. Bonds5

About 2-(3-chlorobut-2-enylamino)-N-phenylbenzamide

2-(3-chlorobut-2-enylamino)-N-phenylbenzamide (PubChem CID 71333026) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-(3-chlorobut-2-enylamino)-N-phenylbenzamide.

Molecular Properties

Compound Name2-(3-chlorobut-2-enylamino)-N-phenylbenzamide
PubChem CID71333026
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name2-(3-chlorobut-2-enylamino)-N-phenylbenzamide
SMILESCC(Cl)=CCNc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C17H17ClN2O/c1-13(18)11-12-19-16-10-6-5-9-15(16)17(21)20-14-7-3-2-4-8-14/h2-11,19H,12H2,1H3,(H,20,21)
InChIKeyOFHYXHQQQOXKTH-UHFFFAOYSA-N
XLogP4.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorobut-2-enylamino)-N-phenylbenzamide?
The IUPAC name of 2-(3-chlorobut-2-enylamino)-N-phenylbenzamide (CID 71333026) is 2-(3-chlorobut-2-enylamino)-N-phenylbenzamide.
What is the SMILES notation for 2-(3-chlorobut-2-enylamino)-N-phenylbenzamide?
The canonical SMILES for 2-(3-chlorobut-2-enylamino)-N-phenylbenzamide is CC(Cl)=CCNc1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-(3-chlorobut-2-enylamino)-N-phenylbenzamide?
The InChIKey is OFHYXHQQQOXKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-13(18)11-12-19-16-10-6-5-9-15(16)17(21)20-14-7-3-2-4-8-14/h2-11,19H,12H2,1H3,(H,20,21).
What are the key properties of 2-(3-chlorobut-2-enylamino)-N-phenylbenzamide?
2-(3-chlorobut-2-enylamino)-N-phenylbenzamide has a molecular weight of 300.79 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorobut-2-enylamino)-N-phenylbenzamide is sourced from PubChem (CID 71333026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).