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

C15H16Cl2N2O2 — CID 171344184

IUPACN-butyl-4-(3,4-dichloro-5-oxo-2H-pyrrol-1-yl)benzamide
SMILESCCCCNC(=O)c1ccc(N2CC(Cl)=C(Cl)C2=O)cc1
InChIInChI=1S/C15H16Cl2N2O2/c1-2-3-8-18-14(20)10-4-6-11(7-5-10)19-9-12(16)13(17)15(19)21/h4-7H,2-3,8-9H2,1H3,(H,18,20)
InChIKeyFRFOBKMNXPFHKA-UHFFFAOYSA-N
MW327.21 g/mol
LogP3.25
Rot. Bonds5

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

N-butyl-4-(3,4-dichloro-5-oxo-2H-pyrrol-1-yl)benzamide (PubChem CID 171344184) has the molecular formula C15H16Cl2N2O2 and a molecular weight of 327.21 g/mol. Its IUPAC name is N-butyl-4-(3,4-dichloro-5-oxo-2H-pyrrol-1-yl)benzamide.

Molecular Properties

Compound NameN-butyl-4-(3,4-dichloro-5-oxo-2H-pyrrol-1-yl)benzamide
PubChem CID171344184
Molecular FormulaC15H16Cl2N2O2
Molecular Weight327.21 g/mol
Exact Mass326.06
IUPAC NameN-butyl-4-(3,4-dichloro-5-oxo-2H-pyrrol-1-yl)benzamide
SMILESCCCCNC(=O)c1ccc(N2CC(Cl)=C(Cl)C2=O)cc1
InChIInChI=1S/C15H16Cl2N2O2/c1-2-3-8-18-14(20)10-4-6-11(7-5-10)19-9-12(16)13(17)15(19)21/h4-7H,2-3,8-9H2,1H3,(H,18,20)
InChIKeyFRFOBKMNXPFHKA-UHFFFAOYSA-N
XLogP3.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-4-(3,4-dichloro-5-oxo-2H-pyrrol-1-yl)benzamide
CID 171351019
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N-butyl-4-formylbenzamide
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N-butyl-4-phenylbenzamide
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N-butyl-2-hydroxy-1,3-dioxoisoindole-5-carboxamide
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N-butylpyridine-4-carboxamide
CID 5030535
4-(chloromethyl)-N-hexylbenzamide
CID 43168029
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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(3,4-dichloro-5-oxo-2H-pyrrol-1-yl)benzamide?
The IUPAC name of N-butyl-4-(3,4-dichloro-5-oxo-2H-pyrrol-1-yl)benzamide (CID 171344184) is N-butyl-4-(3,4-dichloro-5-oxo-2H-pyrrol-1-yl)benzamide.
What is the SMILES notation for N-butyl-4-(3,4-dichloro-5-oxo-2H-pyrrol-1-yl)benzamide?
The canonical SMILES for N-butyl-4-(3,4-dichloro-5-oxo-2H-pyrrol-1-yl)benzamide is CCCCNC(=O)c1ccc(N2CC(Cl)=C(Cl)C2=O)cc1.
What is the InChIKey of N-butyl-4-(3,4-dichloro-5-oxo-2H-pyrrol-1-yl)benzamide?
The InChIKey is FRFOBKMNXPFHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O2/c1-2-3-8-18-14(20)10-4-6-11(7-5-10)19-9-12(16)13(17)15(19)21/h4-7H,2-3,8-9H2,1H3,(H,18,20).
What are the key properties of N-butyl-4-(3,4-dichloro-5-oxo-2H-pyrrol-1-yl)benzamide?
N-butyl-4-(3,4-dichloro-5-oxo-2H-pyrrol-1-yl)benzamide has a molecular weight of 327.21 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(3,4-dichloro-5-oxo-2H-pyrrol-1-yl)benzamide is sourced from PubChem (CID 171344184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).