N-benzyl-4-(3,4-dichloro-5-oxo-2H-pyrrol-1-yl)benzamide

C18H14Cl2N2O2 — CID 171351019

IUPACN-benzyl-4-(3,4-dichloro-5-oxo-2H-pyrrol-1-yl)benzamide
SMILESO=C(NCc1ccccc1)c1ccc(N2CC(Cl)=C(Cl)C2=O)cc1
InChIInChI=1S/C18H14Cl2N2O2/c19-15-11-22(18(24)16(15)20)14-8-6-13(7-9-14)17(23)21-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,21,23)
InChIKeyRYCPDLUHVCGRBG-UHFFFAOYSA-N
MW361.23 g/mol
LogP3.65
Rot. Bonds4

About N-benzyl-4-(3,4-dichloro-5-oxo-2H-pyrrol-1-yl)benzamide

N-benzyl-4-(3,4-dichloro-5-oxo-2H-pyrrol-1-yl)benzamide (PubChem CID 171351019) has the molecular formula C18H14Cl2N2O2 and a molecular weight of 361.23 g/mol. Its IUPAC name is N-benzyl-4-(3,4-dichloro-5-oxo-2H-pyrrol-1-yl)benzamide.

Molecular Properties

Compound NameN-benzyl-4-(3,4-dichloro-5-oxo-2H-pyrrol-1-yl)benzamide
PubChem CID171351019
Molecular FormulaC18H14Cl2N2O2
Molecular Weight361.23 g/mol
Exact Mass360.04
IUPAC NameN-benzyl-4-(3,4-dichloro-5-oxo-2H-pyrrol-1-yl)benzamide
SMILESO=C(NCc1ccccc1)c1ccc(N2CC(Cl)=C(Cl)C2=O)cc1
InChIInChI=1S/C18H14Cl2N2O2/c19-15-11-22(18(24)16(15)20)14-8-6-13(7-9-14)17(23)21-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,21,23)
InChIKeyRYCPDLUHVCGRBG-UHFFFAOYSA-N
XLogP3.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(3,4-dichloro-5-oxo-2H-pyrrol-1-yl)benzamide?
The IUPAC name of N-benzyl-4-(3,4-dichloro-5-oxo-2H-pyrrol-1-yl)benzamide (CID 171351019) is N-benzyl-4-(3,4-dichloro-5-oxo-2H-pyrrol-1-yl)benzamide.
What is the SMILES notation for N-benzyl-4-(3,4-dichloro-5-oxo-2H-pyrrol-1-yl)benzamide?
The canonical SMILES for N-benzyl-4-(3,4-dichloro-5-oxo-2H-pyrrol-1-yl)benzamide is O=C(NCc1ccccc1)c1ccc(N2CC(Cl)=C(Cl)C2=O)cc1.
What is the InChIKey of N-benzyl-4-(3,4-dichloro-5-oxo-2H-pyrrol-1-yl)benzamide?
The InChIKey is RYCPDLUHVCGRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2/c19-15-11-22(18(24)16(15)20)14-8-6-13(7-9-14)17(23)21-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,21,23).
What are the key properties of N-benzyl-4-(3,4-dichloro-5-oxo-2H-pyrrol-1-yl)benzamide?
N-benzyl-4-(3,4-dichloro-5-oxo-2H-pyrrol-1-yl)benzamide has a molecular weight of 361.23 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(3,4-dichloro-5-oxo-2H-pyrrol-1-yl)benzamide is sourced from PubChem (CID 171351019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).