4-chloro-N-(3-chloro-4-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide

C14H14Cl2N2O2 — CID 64787134

IUPAC4-chloro-N-(3-chloro-4-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Cl)cc1C(=O)Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C14H14Cl2N2O2/c1-8(2)18-7-9(15)5-12(18)14(20)17-10-3-4-13(19)11(16)6-10/h3-8,19H,1-2H3,(H,17,20)
InChIKeyDGNIMUGZSKNEIY-UHFFFAOYSA-N
MW313.18 g/mol
LogP4.33
Rot. Bonds3

About 4-chloro-N-(3-chloro-4-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide

4-chloro-N-(3-chloro-4-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 64787134) has the molecular formula C14H14Cl2N2O2 and a molecular weight of 313.18 g/mol. Its IUPAC name is 4-chloro-N-(3-chloro-4-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-chloro-4-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID64787134
Molecular FormulaC14H14Cl2N2O2
Molecular Weight313.18 g/mol
Exact Mass312.04
IUPAC Name4-chloro-N-(3-chloro-4-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Cl)cc1C(=O)Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C14H14Cl2N2O2/c1-8(2)18-7-9(15)5-12(18)14(20)17-10-3-4-13(19)11(16)6-10/h3-8,19H,1-2H3,(H,17,20)
InChIKeyDGNIMUGZSKNEIY-UHFFFAOYSA-N
XLogP4.33
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-chloro-1-propan-2-ylpyrrole-2-carbonyl)amino]benzoic acid
CID 43640030
4-chloro-N-[3-(hydroxymethyl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 61000804
N-(4-bromo-3,5-dimethylphenyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide
CID 107574915
4-bromo-N-(3,5-dichlorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43640867
N-(3-chloro-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 63935503
4-bromo-N-(4-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43640158
1-(3-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 64788304
5-chloro-N-(3-chloro-4-hydroxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 107679572
4-chloro-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 63565403
2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide
CID 5119935
4-amino-N-(2,4-dichlorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43642744
methyl N-(3-chloro-4-hydroxyphenyl)carbamate
CID 18932212

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-chloro-4-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-(3-chloro-4-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide (CID 64787134) is 4-chloro-N-(3-chloro-4-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-chloro-4-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-(3-chloro-4-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cc(Cl)cc1C(=O)Nc1ccc(O)c(Cl)c1.
What is the InChIKey of 4-chloro-N-(3-chloro-4-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is DGNIMUGZSKNEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2/c1-8(2)18-7-9(15)5-12(18)14(20)17-10-3-4-13(19)11(16)6-10/h3-8,19H,1-2H3,(H,17,20).
What are the key properties of 4-chloro-N-(3-chloro-4-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide?
4-chloro-N-(3-chloro-4-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 313.18 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-chloro-4-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 64787134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).