N-(5-chloro-2-methoxyphenyl)-3-(1-methylpyrrol-2-yl)propanamide

C15H17ClN2O2 — CID 110700740

IUPACN-(5-chloro-2-methoxyphenyl)-3-(1-methylpyrrol-2-yl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCc1cccn1C
InChIInChI=1S/C15H17ClN2O2/c1-18-9-3-4-12(18)6-8-15(19)17-13-10-11(16)5-7-14(13)20-2/h3-5,7,9-10H,6,8H2,1-2H3,(H,17,19)
InChIKeyGTUSYTNJQFTHGZ-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.26
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-3-(1-methylpyrrol-2-yl)propanamide

N-(5-chloro-2-methoxyphenyl)-3-(1-methylpyrrol-2-yl)propanamide (PubChem CID 110700740) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-(1-methylpyrrol-2-yl)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-(1-methylpyrrol-2-yl)propanamide
PubChem CID110700740
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-(1-methylpyrrol-2-yl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCc1cccn1C
InChIInChI=1S/C15H17ClN2O2/c1-18-9-3-4-12(18)6-8-15(19)17-13-10-11(16)5-7-14(13)20-2/h3-5,7,9-10H,6,8H2,1-2H3,(H,17,19)
InChIKeyGTUSYTNJQFTHGZ-UHFFFAOYSA-N
XLogP3.26
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 94271903
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N-(5-chloro-2-methoxyphenyl)-3-[5-(4-methylphenyl)furan-2-yl]propanamide
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5-bromo-N-(5-chloro-2-methoxyphenyl)pentanamide
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CID 109038439
ethyl 4-(5-chloro-2-methoxyanilino)-4-oxobutanoate
CID 9073367
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CID 54928228
N-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide
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N-(5-chloro-2-methoxyphenyl)-3-[2-(4-chlorophenyl)ethylamino]propanamide
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N-(5-chloro-2-methoxyphenyl)-2-[(1-methylpyrrol-2-yl)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 5171775
N-(5-chloro-2-methoxyphenyl)-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334804

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-(1-methylpyrrol-2-yl)propanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-(1-methylpyrrol-2-yl)propanamide (CID 110700740) is N-(5-chloro-2-methoxyphenyl)-3-(1-methylpyrrol-2-yl)propanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-(1-methylpyrrol-2-yl)propanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-(1-methylpyrrol-2-yl)propanamide is COc1ccc(Cl)cc1NC(=O)CCc1cccn1C.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-(1-methylpyrrol-2-yl)propanamide?
The InChIKey is GTUSYTNJQFTHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-18-9-3-4-12(18)6-8-15(19)17-13-10-11(16)5-7-14(13)20-2/h3-5,7,9-10H,6,8H2,1-2H3,(H,17,19).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-(1-methylpyrrol-2-yl)propanamide?
N-(5-chloro-2-methoxyphenyl)-3-(1-methylpyrrol-2-yl)propanamide has a molecular weight of 292.77 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-(1-methylpyrrol-2-yl)propanamide is sourced from PubChem (CID 110700740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).