N-[4-chloro-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxo-1,3-oxazolidin-3-yl)propylcarbamoyl]phenyl]-2-cyclopropyl-3H-pyrrole-5-carboxamide

About N-[4-chloro-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxo-1,3-oxazolidin-3-yl)propylcarbamoyl]phenyl]-2-cyclopropyl-3H-pyrrole-5-carboxamide

N-[4-chloro-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxo-1,3-oxazolidin-3-yl)propylcarbamoyl]phenyl]-2-cyclopropyl-3H-pyrrole-5-carboxamide (PubChem CID 134547053) has the molecular formula C32H37ClN6O4 and a molecular weight of 605.14 g/mol. Its IUPAC name is N-[4-chloro-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxo-1,3-oxazolidin-3-yl)propylcarbamoyl]phenyl]-2-cyclopropyl-3H-pyrrole-5-carboxamide.

Molecular Properties

Compound Name	N-[4-chloro-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxo-1,3-oxazolidin-3-yl)propylcarbamoyl]phenyl]-2-cyclopropyl-3H-pyrrole-5-carboxamide
PubChem CID	134547053
Molecular Formula	C32H37ClN6O4
Molecular Weight	605.14 g/mol
Exact Mass	604.26
IUPAC Name	N-[4-chloro-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxo-1,3-oxazolidin-3-yl)propylcarbamoyl]phenyl]-2-cyclopropyl-3H-pyrrole-5-carboxamide
SMILES	Cc1ccccc1N1CCN(c2cc(Cl)c(C(=O)NCCCN3CCOC3=O)cc2NC(=O)C2=CCC(C3CC3)=N2)CC1
InChI	InChI=1S/C32H37ClN6O4/c1-21-5-2-3-6-28(21)37-13-15-38(16-14-37)29-20-24(33)23(30(40)34-11-4-12-39-17-18-43-32(39)42)19-27(29)36-31(41)26-10-9-25(35-26)22-7-8-22/h2-3,5-6,10,19-20,22H,4,7-9,11-18H2,1H3,(H,34,40)(H,36,41)
InChIKey	PJSBJWYLXLHUEO-UHFFFAOYSA-N
XLogP	4.62
TPSA	106.58 Å²
H-Bond Donors	2
H-Bond Acceptors	7
Rotatable Bonds	10
Heavy Atoms	43
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	605.14
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxo-1,3-oxazolidin-3-yl)propylcarbamoyl]phenyl]-2-cyclopropyl-3H-pyrrole-5-carboxamide?

The IUPAC name of N-[4-chloro-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxo-1,3-oxazolidin-3-yl)propylcarbamoyl]phenyl]-2-cyclopropyl-3H-pyrrole-5-carboxamide (CID 134547053) is N-[4-chloro-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxo-1,3-oxazolidin-3-yl)propylcarbamoyl]phenyl]-2-cyclopropyl-3H-pyrrole-5-carboxamide.

What is the SMILES notation for N-[4-chloro-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxo-1,3-oxazolidin-3-yl)propylcarbamoyl]phenyl]-2-cyclopropyl-3H-pyrrole-5-carboxamide?

The canonical SMILES for N-[4-chloro-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxo-1,3-oxazolidin-3-yl)propylcarbamoyl]phenyl]-2-cyclopropyl-3H-pyrrole-5-carboxamide is Cc1ccccc1N1CCN(c2cc(Cl)c(C(=O)NCCCN3CCOC3=O)cc2NC(=O)C2=CCC(C3CC3)=N2)CC1.

What is the InChIKey of N-[4-chloro-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxo-1,3-oxazolidin-3-yl)propylcarbamoyl]phenyl]-2-cyclopropyl-3H-pyrrole-5-carboxamide?

The InChIKey is PJSBJWYLXLHUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37ClN6O4/c1-21-5-2-3-6-28(21)37-13-15-38(16-14-37)29-20-24(33)23(30(40)34-11-4-12-39-17-18-43-32(39)42)19-27(29)36-31(41)26-10-9-25(35-26)22-7-8-22/h2-3,5-6,10,19-20,22H,4,7-9,11-18H2,1H3,(H,34,40)(H,36,41).

What are the key properties of N-[4-chloro-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxo-1,3-oxazolidin-3-yl)propylcarbamoyl]phenyl]-2-cyclopropyl-3H-pyrrole-5-carboxamide?

N-[4-chloro-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxo-1,3-oxazolidin-3-yl)propylcarbamoyl]phenyl]-2-cyclopropyl-3H-pyrrole-5-carboxamide has a molecular weight of 605.14 g/mol, XLogP of 4.62, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxo-1,3-oxazolidin-3-yl)propylcarbamoyl]phenyl]-2-cyclopropyl-3H-pyrrole-5-carboxamide is sourced from PubChem (CID 134547053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).