N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-4-pyrrol-1-ylbenzamide

C23H23N3O3 — CID 110619227

IUPACN-[4-(3-methylmorpholine-4-carbonyl)phenyl]-4-pyrrol-1-ylbenzamide
SMILESCC1COCCN1C(=O)c1ccc(NC(=O)c2ccc(-n3cccc3)cc2)cc1
InChIInChI=1S/C23H23N3O3/c1-17-16-29-15-14-26(17)23(28)19-4-8-20(9-5-19)24-22(27)18-6-10-21(11-7-18)25-12-2-3-13-25/h2-13,17H,14-16H2,1H3,(H,24,27)
InChIKeySYRIEMCVDODUJA-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.59
Rot. Bonds4

About N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-4-pyrrol-1-ylbenzamide

N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-4-pyrrol-1-ylbenzamide (PubChem CID 110619227) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[4-(3-methylmorpholine-4-carbonyl)phenyl]-4-pyrrol-1-ylbenzamide
PubChem CID110619227
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-[4-(3-methylmorpholine-4-carbonyl)phenyl]-4-pyrrol-1-ylbenzamide
SMILESCC1COCCN1C(=O)c1ccc(NC(=O)c2ccc(-n3cccc3)cc2)cc1
InChIInChI=1S/C23H23N3O3/c1-17-16-29-15-14-26(17)23(28)19-4-8-20(9-5-19)24-22(27)18-6-10-21(11-7-18)25-12-2-3-13-25/h2-13,17H,14-16H2,1H3,(H,24,27)
InChIKeySYRIEMCVDODUJA-UHFFFAOYSA-N
XLogP3.59
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methylmorpholin-4-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 47168279
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-phenylpropanamide
CID 110352618
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]cyclopentanecarboxamide
CID 110604977
1-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-(2-methylpropyl)urea
CID 110614358
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide
CID 47174328
N-[4-(1,3-dioxolan-2-yl)phenyl]-4-pyrrol-1-ylbenzamide
CID 110745346
1-butan-2-yl-3-[4-(3-methylmorpholine-4-carbonyl)phenyl]urea
CID 110614359
1-(2,2-dimethylpropyl)-3-[4-(3-methylmorpholine-4-carbonyl)phenyl]urea
CID 110671803
2-(4-chlorophenyl)-N-[4-(3-methylmorpholine-4-carbonyl)phenyl]acetamide
CID 110352615
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-3-phenylbutanamide
CID 110614350
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110614361
2-(2-methoxyphenyl)-N-[4-(3-methylmorpholine-4-carbonyl)phenyl]acetamide
CID 110671793

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-4-pyrrol-1-ylbenzamide (CID 110619227) is N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-4-pyrrol-1-ylbenzamide is CC1COCCN1C(=O)c1ccc(NC(=O)c2ccc(-n3cccc3)cc2)cc1.
What is the InChIKey of N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-4-pyrrol-1-ylbenzamide?
The InChIKey is SYRIEMCVDODUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-17-16-29-15-14-26(17)23(28)19-4-8-20(9-5-19)24-22(27)18-6-10-21(11-7-18)25-12-2-3-13-25/h2-13,17H,14-16H2,1H3,(H,24,27).
What are the key properties of N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-4-pyrrol-1-ylbenzamide?
N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-4-pyrrol-1-ylbenzamide has a molecular weight of 389.46 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylmorpholine-4-carbonyl)phenyl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 110619227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).