5-(5-chloro-2-hydroxy-4-methoxyphenyl)-N-ethyl-1-[4-(morpholin-4-ylmethyl)phenyl]pyrrole-2-carboxamide

C25H28ClN3O4 — CID 44543799

IUPAC5-(5-chloro-2-hydroxy-4-methoxyphenyl)-N-ethyl-1-[4-(morpholin-4-ylmethyl)phenyl]pyrrole-2-carboxamide
SMILESCCNC(=O)c1ccc(-c2cc(Cl)c(OC)cc2O)n1-c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C25H28ClN3O4/c1-3-27-25(31)22-9-8-21(19-14-20(26)24(32-2)15-23(19)30)29(22)18-6-4-17(5-7-18)16-28-10-12-33-13-11-28/h4-9,14-15,30H,3,10-13,16H2,1-2H3,(H,27,31)
InChIKeyKNSCDPOKBGBFSS-UHFFFAOYSA-N
MW469.97 g/mol
LogP4.09
Rot. Bonds7

About 5-(5-chloro-2-hydroxy-4-methoxyphenyl)-N-ethyl-1-[4-(morpholin-4-ylmethyl)phenyl]pyrrole-2-carboxamide

5-(5-chloro-2-hydroxy-4-methoxyphenyl)-N-ethyl-1-[4-(morpholin-4-ylmethyl)phenyl]pyrrole-2-carboxamide (PubChem CID 44543799) has the molecular formula C25H28ClN3O4 and a molecular weight of 469.97 g/mol. Its IUPAC name is 5-(5-chloro-2-hydroxy-4-methoxyphenyl)-N-ethyl-1-[4-(morpholin-4-ylmethyl)phenyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-2-hydroxy-4-methoxyphenyl)-N-ethyl-1-[4-(morpholin-4-ylmethyl)phenyl]pyrrole-2-carboxamide
PubChem CID44543799
Molecular FormulaC25H28ClN3O4
Molecular Weight469.97 g/mol
Exact Mass469.18
IUPAC Name5-(5-chloro-2-hydroxy-4-methoxyphenyl)-N-ethyl-1-[4-(morpholin-4-ylmethyl)phenyl]pyrrole-2-carboxamide
SMILESCCNC(=O)c1ccc(-c2cc(Cl)c(OC)cc2O)n1-c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C25H28ClN3O4/c1-3-27-25(31)22-9-8-21(19-14-20(26)24(32-2)15-23(19)30)29(22)18-6-4-17(5-7-18)16-28-10-12-33-13-11-28/h4-9,14-15,30H,3,10-13,16H2,1-2H3,(H,27,31)
InChIKeyKNSCDPOKBGBFSS-UHFFFAOYSA-N
XLogP4.09
TPSA75.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.97
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-1-(4-morpholin-4-ylphenyl)pyrrole-2-carboxamide
CID 44545304
N-ethyl-5-(5-ethyl-2-hydroxy-4-methoxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 135749950
1-[4-(diethylaminomethyl)phenyl]-5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
CID 58305186
N-ethyl-5-(2-hydroxy-4-methoxy-5-propan-2-ylphenyl)-4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-triazole-3-carboxamide
CID 135924280
N-ethyl-5-[[2-methoxy-5-[4-(morpholin-4-ylmethyl)phenyl]phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 178145962
3,4,5-trimethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 27890450
2-methoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17437691
methyl 2-methoxy-4-(morpholin-4-ylmethyl)benzoate
CID 66876950
5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[3-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 135749939
N-(3,4-dimethoxyphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 1099911
2-methoxy-5-(morpholin-4-ylmethyl)benzoic acid
CID 46785387
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-morpholin-4-ylphenyl)acetamide
CID 110427902

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-hydroxy-4-methoxyphenyl)-N-ethyl-1-[4-(morpholin-4-ylmethyl)phenyl]pyrrole-2-carboxamide?
The IUPAC name of 5-(5-chloro-2-hydroxy-4-methoxyphenyl)-N-ethyl-1-[4-(morpholin-4-ylmethyl)phenyl]pyrrole-2-carboxamide (CID 44543799) is 5-(5-chloro-2-hydroxy-4-methoxyphenyl)-N-ethyl-1-[4-(morpholin-4-ylmethyl)phenyl]pyrrole-2-carboxamide.
What is the SMILES notation for 5-(5-chloro-2-hydroxy-4-methoxyphenyl)-N-ethyl-1-[4-(morpholin-4-ylmethyl)phenyl]pyrrole-2-carboxamide?
The canonical SMILES for 5-(5-chloro-2-hydroxy-4-methoxyphenyl)-N-ethyl-1-[4-(morpholin-4-ylmethyl)phenyl]pyrrole-2-carboxamide is CCNC(=O)c1ccc(-c2cc(Cl)c(OC)cc2O)n1-c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 5-(5-chloro-2-hydroxy-4-methoxyphenyl)-N-ethyl-1-[4-(morpholin-4-ylmethyl)phenyl]pyrrole-2-carboxamide?
The InChIKey is KNSCDPOKBGBFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O4/c1-3-27-25(31)22-9-8-21(19-14-20(26)24(32-2)15-23(19)30)29(22)18-6-4-17(5-7-18)16-28-10-12-33-13-11-28/h4-9,14-15,30H,3,10-13,16H2,1-2H3,(H,27,31).
What are the key properties of 5-(5-chloro-2-hydroxy-4-methoxyphenyl)-N-ethyl-1-[4-(morpholin-4-ylmethyl)phenyl]pyrrole-2-carboxamide?
5-(5-chloro-2-hydroxy-4-methoxyphenyl)-N-ethyl-1-[4-(morpholin-4-ylmethyl)phenyl]pyrrole-2-carboxamide has a molecular weight of 469.97 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-hydroxy-4-methoxyphenyl)-N-ethyl-1-[4-(morpholin-4-ylmethyl)phenyl]pyrrole-2-carboxamide is sourced from PubChem (CID 44543799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).