N-[2-[3-bromo-4-(2-pyrrol-1-ylethoxy)phenyl]ethyl]-1H-pyrrole-2-carboxamide

C19H20BrN3O2 — CID 69094619

IUPACN-[2-[3-bromo-4-(2-pyrrol-1-ylethoxy)phenyl]ethyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCCc1ccc(OCCn2cccc2)c(Br)c1)c1ccc[nH]1
InChIInChI=1S/C19H20BrN3O2/c20-16-14-15(7-9-22-19(24)17-4-3-8-21-17)5-6-18(16)25-13-12-23-10-1-2-11-23/h1-6,8,10-11,14,21H,7,9,12-13H2,(H,22,24)
InChIKeyXZXLJBBJSDKBGP-UHFFFAOYSA-N
MW402.29 g/mol
LogP3.63
Rot. Bonds8

About N-[2-[3-bromo-4-(2-pyrrol-1-ylethoxy)phenyl]ethyl]-1H-pyrrole-2-carboxamide

N-[2-[3-bromo-4-(2-pyrrol-1-ylethoxy)phenyl]ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 69094619) has the molecular formula C19H20BrN3O2 and a molecular weight of 402.29 g/mol. Its IUPAC name is N-[2-[3-bromo-4-(2-pyrrol-1-ylethoxy)phenyl]ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-bromo-4-(2-pyrrol-1-ylethoxy)phenyl]ethyl]-1H-pyrrole-2-carboxamide
PubChem CID69094619
Molecular FormulaC19H20BrN3O2
Molecular Weight402.29 g/mol
Exact Mass401.07
IUPAC NameN-[2-[3-bromo-4-(2-pyrrol-1-ylethoxy)phenyl]ethyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCCc1ccc(OCCn2cccc2)c(Br)c1)c1ccc[nH]1
InChIInChI=1S/C19H20BrN3O2/c20-16-14-15(7-9-22-19(24)17-4-3-8-21-17)5-6-18(16)25-13-12-23-10-1-2-11-23/h1-6,8,10-11,14,21H,7,9,12-13H2,(H,22,24)
InChIKeyXZXLJBBJSDKBGP-UHFFFAOYSA-N
XLogP3.63
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.29
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-bromo-4-hydroxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 59187260
N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 9404380
N-[2-[3-bromo-4-[3-(dimethylamino)propoxy]phenyl]ethyl]-1-methylpyrrole-2-carboxamide
CID 44546761
4-bromo-N-[2-[3-bromo-4-(2-morpholin-4-ylethoxy)phenyl]ethyl]thiophene-2-carboxamide
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4-bromo-N-[2-[3-bromo-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy]phenyl]ethyl]thiophene-2-carboxamide
CID 44548944
N-(2-thiophen-3-ylethyl)-1H-pyrrole-2-carboxamide
CID 110475807
3-bromo-N-[6-[[3-bromo-4-(2-phenylethoxy)benzoyl]amino]hexyl]-4-(2-phenylethoxy)benzamide
CID 17073272
2-(2-bromo-4-propylphenoxy)-N-(2-phenylethyl)acetamide
CID 19201978
4-(2-bromo-4-ethylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
CID 19201982
3-bromo-4-(2-methoxyethoxy)-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
CID 17356398
N-(2-hydroxyethoxy)-1H-pyrrole-2-carboxamide
CID 141207168
N-[2-(3-bromo-4-methoxyphenyl)ethyl]-4-methylpiperazine-1-carboxamide
CID 11717373

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-bromo-4-(2-pyrrol-1-ylethoxy)phenyl]ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[2-[3-bromo-4-(2-pyrrol-1-ylethoxy)phenyl]ethyl]-1H-pyrrole-2-carboxamide (CID 69094619) is N-[2-[3-bromo-4-(2-pyrrol-1-ylethoxy)phenyl]ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-[3-bromo-4-(2-pyrrol-1-ylethoxy)phenyl]ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[2-[3-bromo-4-(2-pyrrol-1-ylethoxy)phenyl]ethyl]-1H-pyrrole-2-carboxamide is O=C(NCCc1ccc(OCCn2cccc2)c(Br)c1)c1ccc[nH]1.
What is the InChIKey of N-[2-[3-bromo-4-(2-pyrrol-1-ylethoxy)phenyl]ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is XZXLJBBJSDKBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O2/c20-16-14-15(7-9-22-19(24)17-4-3-8-21-17)5-6-18(16)25-13-12-23-10-1-2-11-23/h1-6,8,10-11,14,21H,7,9,12-13H2,(H,22,24).
What are the key properties of N-[2-[3-bromo-4-(2-pyrrol-1-ylethoxy)phenyl]ethyl]-1H-pyrrole-2-carboxamide?
N-[2-[3-bromo-4-(2-pyrrol-1-ylethoxy)phenyl]ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 402.29 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-bromo-4-(2-pyrrol-1-ylethoxy)phenyl]ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 69094619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).