N-(4-chloro-2-methoxy-5-methylphenyl)-3-(5-phenyl-1H-pyrrol-2-yl)propanamide

C21H21ClN2O2 — CID 55914654

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-3-(5-phenyl-1H-pyrrol-2-yl)propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CCc1ccc(-c2ccccc2)[nH]1
InChIInChI=1S/C21H21ClN2O2/c1-14-12-19(20(26-2)13-17(14)22)24-21(25)11-9-16-8-10-18(23-16)15-6-4-3-5-7-15/h3-8,10,12-13,23H,9,11H2,1-2H3,(H,24,25)
InChIKeySEKPJNUJCDFWHP-UHFFFAOYSA-N
MW368.86 g/mol
LogP5.22
Rot. Bonds6

About N-(4-chloro-2-methoxy-5-methylphenyl)-3-(5-phenyl-1H-pyrrol-2-yl)propanamide

N-(4-chloro-2-methoxy-5-methylphenyl)-3-(5-phenyl-1H-pyrrol-2-yl)propanamide (PubChem CID 55914654) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-3-(5-phenyl-1H-pyrrol-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-(5-phenyl-1H-pyrrol-2-yl)propanamide
PubChem CID55914654
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-3-(5-phenyl-1H-pyrrol-2-yl)propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CCc1ccc(-c2ccccc2)[nH]1
InChIInChI=1S/C21H21ClN2O2/c1-14-12-19(20(26-2)13-17(14)22)24-21(25)11-9-16-8-10-18(23-16)15-6-4-3-5-7-15/h3-8,10,12-13,23H,9,11H2,1-2H3,(H,24,25)
InChIKeySEKPJNUJCDFWHP-UHFFFAOYSA-N
XLogP5.22
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.86
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(5-phenyl-1H-pyrrol-2-yl)propanamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(5-phenyl-1H-pyrrol-2-yl)propanamide (CID 55914654) is N-(4-chloro-2-methoxy-5-methylphenyl)-3-(5-phenyl-1H-pyrrol-2-yl)propanamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-3-(5-phenyl-1H-pyrrol-2-yl)propanamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-3-(5-phenyl-1H-pyrrol-2-yl)propanamide is COc1cc(Cl)c(C)cc1NC(=O)CCc1ccc(-c2ccccc2)[nH]1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(5-phenyl-1H-pyrrol-2-yl)propanamide?
The InChIKey is SEKPJNUJCDFWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c1-14-12-19(20(26-2)13-17(14)22)24-21(25)11-9-16-8-10-18(23-16)15-6-4-3-5-7-15/h3-8,10,12-13,23H,9,11H2,1-2H3,(H,24,25).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-3-(5-phenyl-1H-pyrrol-2-yl)propanamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(5-phenyl-1H-pyrrol-2-yl)propanamide has a molecular weight of 368.86 g/mol, XLogP of 5.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-3-(5-phenyl-1H-pyrrol-2-yl)propanamide is sourced from PubChem (CID 55914654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).