4-(3-chloro-4-methylphenyl)-2-methyl-5-(2-methylpropyl)-1-(2-phosphorosoethyl)pyrrole-3-carboxamide

C19H24ClN2O2P — CID 59526448

IUPAC4-(3-chloro-4-methylphenyl)-2-methyl-5-(2-methylpropyl)-1-(2-phosphorosoethyl)pyrrole-3-carboxamide
SMILESCc1ccc(-c2c(C(N)=O)c(C)n(CCP=O)c2CC(C)C)cc1Cl
InChIInChI=1S/C19H24ClN2O2P/c1-11(2)9-16-18(14-6-5-12(3)15(20)10-14)17(19(21)23)13(4)22(16)7-8-25-24/h5-6,10-11H,7-9H2,1-4H3,(H2,21,23)
InChIKeyCGLWDTWTNVCZBH-UHFFFAOYSA-N
MW378.84 g/mol
LogP5.01
Rot. Bonds7

About 4-(3-chloro-4-methylphenyl)-2-methyl-5-(2-methylpropyl)-1-(2-phosphorosoethyl)pyrrole-3-carboxamide

4-(3-chloro-4-methylphenyl)-2-methyl-5-(2-methylpropyl)-1-(2-phosphorosoethyl)pyrrole-3-carboxamide (PubChem CID 59526448) has the molecular formula C19H24ClN2O2P and a molecular weight of 378.84 g/mol. Its IUPAC name is 4-(3-chloro-4-methylphenyl)-2-methyl-5-(2-methylpropyl)-1-(2-phosphorosoethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-4-methylphenyl)-2-methyl-5-(2-methylpropyl)-1-(2-phosphorosoethyl)pyrrole-3-carboxamide
PubChem CID59526448
Molecular FormulaC19H24ClN2O2P
Molecular Weight378.84 g/mol
Exact Mass378.13
IUPAC Name4-(3-chloro-4-methylphenyl)-2-methyl-5-(2-methylpropyl)-1-(2-phosphorosoethyl)pyrrole-3-carboxamide
SMILESCc1ccc(-c2c(C(N)=O)c(C)n(CCP=O)c2CC(C)C)cc1Cl
InChIInChI=1S/C19H24ClN2O2P/c1-11(2)9-16-18(14-6-5-12(3)15(20)10-14)17(19(21)23)13(4)22(16)7-8-25-24/h5-6,10-11H,7-9H2,1-4H3,(H2,21,23)
InChIKeyCGLWDTWTNVCZBH-UHFFFAOYSA-N
XLogP5.01
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.84
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methylphenyl)-2-methyl-5-(2-methylpropyl)-1-(2-phosphorosoethyl)pyrrole-3-carboxamide?
The IUPAC name of 4-(3-chloro-4-methylphenyl)-2-methyl-5-(2-methylpropyl)-1-(2-phosphorosoethyl)pyrrole-3-carboxamide (CID 59526448) is 4-(3-chloro-4-methylphenyl)-2-methyl-5-(2-methylpropyl)-1-(2-phosphorosoethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 4-(3-chloro-4-methylphenyl)-2-methyl-5-(2-methylpropyl)-1-(2-phosphorosoethyl)pyrrole-3-carboxamide?
The canonical SMILES for 4-(3-chloro-4-methylphenyl)-2-methyl-5-(2-methylpropyl)-1-(2-phosphorosoethyl)pyrrole-3-carboxamide is Cc1ccc(-c2c(C(N)=O)c(C)n(CCP=O)c2CC(C)C)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methylphenyl)-2-methyl-5-(2-methylpropyl)-1-(2-phosphorosoethyl)pyrrole-3-carboxamide?
The InChIKey is CGLWDTWTNVCZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN2O2P/c1-11(2)9-16-18(14-6-5-12(3)15(20)10-14)17(19(21)23)13(4)22(16)7-8-25-24/h5-6,10-11H,7-9H2,1-4H3,(H2,21,23).
What are the key properties of 4-(3-chloro-4-methylphenyl)-2-methyl-5-(2-methylpropyl)-1-(2-phosphorosoethyl)pyrrole-3-carboxamide?
4-(3-chloro-4-methylphenyl)-2-methyl-5-(2-methylpropyl)-1-(2-phosphorosoethyl)pyrrole-3-carboxamide has a molecular weight of 378.84 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methylphenyl)-2-methyl-5-(2-methylpropyl)-1-(2-phosphorosoethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 59526448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).