N-(3-chloro-2-morpholin-4-ylphenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide

C22H24ClN3O3 — CID 30605699

IUPACN-(3-chloro-2-morpholin-4-ylphenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)c(C)n1Cc1ccco1
InChIInChI=1S/C22H24ClN3O3/c1-15-13-18(16(2)26(15)14-17-5-4-10-29-17)22(27)24-20-7-3-6-19(23)21(20)25-8-11-28-12-9-25/h3-7,10,13H,8-9,11-12,14H2,1-2H3,(H,24,27)
InChIKeyBOFRBCIGUDINJU-UHFFFAOYSA-N
MW413.91 g/mol
LogP4.49
Rot. Bonds5

About N-(3-chloro-2-morpholin-4-ylphenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide

N-(3-chloro-2-morpholin-4-ylphenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 30605699) has the molecular formula C22H24ClN3O3 and a molecular weight of 413.91 g/mol. Its IUPAC name is N-(3-chloro-2-morpholin-4-ylphenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-morpholin-4-ylphenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
PubChem CID30605699
Molecular FormulaC22H24ClN3O3
Molecular Weight413.91 g/mol
Exact Mass413.15
IUPAC NameN-(3-chloro-2-morpholin-4-ylphenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)c(C)n1Cc1ccco1
InChIInChI=1S/C22H24ClN3O3/c1-15-13-18(16(2)26(15)14-17-5-4-10-29-17)22(27)24-20-7-3-6-19(23)21(20)25-8-11-28-12-9-25/h3-7,10,13H,8-9,11-12,14H2,1-2H3,(H,24,27)
InChIKeyBOFRBCIGUDINJU-UHFFFAOYSA-N
XLogP4.49
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(3-chloro-2-morpholin-4-ylphenyl)-5-iodobenzamide
CID 3968174
N-(4-acetamidophenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 30683396
N-(3-chloro-2-morpholin-4-ylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 131960632
N-(3-chloro-2-morpholin-4-ylphenyl)-2-fluorobenzamide
CID 952438
methyl 3-[[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]amino]-4-methylbenzoate
CID 30994661
2-(3-chloro-2-morpholin-4-ylanilino)-N-(furan-2-ylmethyl)acetamide
CID 39998866
3,4-dichloro-N-(3-chloro-2-morpholin-4-ylphenyl)benzamide
CID 3478748
1-(furan-2-ylmethyl)-2,5-dimethyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrrole-3-carboxamide
CID 51097792
1-(furan-2-ylmethyl)-2,5-dimethyl-N-(1-methylpyrazol-3-yl)pyrrole-3-carboxamide
CID 47011823
2,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 78863745
1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 7129212
5-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)naphthalene-1-carboxamide
CID 1254482

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide (CID 30605699) is N-(3-chloro-2-morpholin-4-ylphenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-morpholin-4-ylphenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-morpholin-4-ylphenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide is Cc1cc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)c(C)n1Cc1ccco1.
What is the InChIKey of N-(3-chloro-2-morpholin-4-ylphenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is BOFRBCIGUDINJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O3/c1-15-13-18(16(2)26(15)14-17-5-4-10-29-17)22(27)24-20-7-3-6-19(23)21(20)25-8-11-28-12-9-25/h3-7,10,13H,8-9,11-12,14H2,1-2H3,(H,24,27).
What are the key properties of N-(3-chloro-2-morpholin-4-ylphenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide?
N-(3-chloro-2-morpholin-4-ylphenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 413.91 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-morpholin-4-ylphenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 30605699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).