N-(3-chloro-4-methoxyphenyl)-3-[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]propanamide

C21H26ClN3O4 — CID 53149642

IUPACN-(3-chloro-4-methoxyphenyl)-3-[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]propanamide
SMILESCOc1ccc(NC(=O)CCc2[nH]c(C)c(C(=O)N3CCOCC3)c2C)cc1Cl
InChIInChI=1S/C21H26ClN3O4/c1-13-17(23-14(2)20(13)21(27)25-8-10-29-11-9-25)5-7-19(26)24-15-4-6-18(28-3)16(22)12-15/h4,6,12,23H,5,7-11H2,1-3H3,(H,24,26)
InChIKeyUJJDCQCCFVLDGO-UHFFFAOYSA-N
MW419.91 g/mol
LogP3.34
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-3-[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]propanamide

N-(3-chloro-4-methoxyphenyl)-3-[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]propanamide (PubChem CID 53149642) has the molecular formula C21H26ClN3O4 and a molecular weight of 419.91 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]propanamide
PubChem CID53149642
Molecular FormulaC21H26ClN3O4
Molecular Weight419.91 g/mol
Exact Mass419.16
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]propanamide
SMILESCOc1ccc(NC(=O)CCc2[nH]c(C)c(C(=O)N3CCOCC3)c2C)cc1Cl
InChIInChI=1S/C21H26ClN3O4/c1-13-17(23-14(2)20(13)21(27)25-8-10-29-11-9-25)5-7-19(26)24-15-4-6-18(28-3)16(22)12-15/h4,6,12,23H,5,7-11H2,1-3H3,(H,24,26)
InChIKeyUJJDCQCCFVLDGO-UHFFFAOYSA-N
XLogP3.34
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.91
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanamide
CID 108943532
N-(3-chloro-4-methoxyphenyl)-3-[[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonylamino]propanamide
CID 46321419
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711400
N-(3-chloro-4-methoxyphenyl)-6-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109096074
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(3-chloro-4-methoxyphenyl)propanamide
CID 113117750
2-(3-chloro-4-methoxyanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26438859
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
N-(3-chloro-4-methoxyphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942046
N-(3-chloro-4-methoxyphenyl)-3-(3-chloro-4-methylanilino)propanamide
CID 109038668
N-(3-chloro-4-methoxyphenyl)-3-[(3R)-1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-3-yl]propanamide
CID 26322215
N-(3,4-dichlorophenyl)-4-morpholin-4-yl-4-oxobutanamide
CID 6456922

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]propanamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]propanamide (CID 53149642) is N-(3-chloro-4-methoxyphenyl)-3-[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]propanamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]propanamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]propanamide is COc1ccc(NC(=O)CCc2[nH]c(C)c(C(=O)N3CCOCC3)c2C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]propanamide?
The InChIKey is UJJDCQCCFVLDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O4/c1-13-17(23-14(2)20(13)21(27)25-8-10-29-11-9-25)5-7-19(26)24-15-4-6-18(28-3)16(22)12-15/h4,6,12,23H,5,7-11H2,1-3H3,(H,24,26).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]propanamide?
N-(3-chloro-4-methoxyphenyl)-3-[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]propanamide has a molecular weight of 419.91 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3-[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]propanamide is sourced from PubChem (CID 53149642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).