N-(2-bromo-6-methoxyphenyl)-4-pyrrol-1-ylbutanamide

C15H17BrN2O2 — CID 122140386

IUPACN-(2-bromo-6-methoxyphenyl)-4-pyrrol-1-ylbutanamide
SMILESCOc1cccc(Br)c1NC(=O)CCCn1cccc1
InChIInChI=1S/C15H17BrN2O2/c1-20-13-7-4-6-12(16)15(13)17-14(19)8-5-11-18-9-2-3-10-18/h2-4,6-7,9-10H,5,8,11H2,1H3,(H,17,19)
InChIKeyCSPRIKSLLOIXKV-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.68
Rot. Bonds6

About N-(2-bromo-6-methoxyphenyl)-4-pyrrol-1-ylbutanamide

N-(2-bromo-6-methoxyphenyl)-4-pyrrol-1-ylbutanamide (PubChem CID 122140386) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is N-(2-bromo-6-methoxyphenyl)-4-pyrrol-1-ylbutanamide.

Molecular Properties

Compound NameN-(2-bromo-6-methoxyphenyl)-4-pyrrol-1-ylbutanamide
PubChem CID122140386
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC NameN-(2-bromo-6-methoxyphenyl)-4-pyrrol-1-ylbutanamide
SMILESCOc1cccc(Br)c1NC(=O)CCCn1cccc1
InChIInChI=1S/C15H17BrN2O2/c1-20-13-7-4-6-12(16)15(13)17-14(19)8-5-11-18-9-2-3-10-18/h2-4,6-7,9-10H,5,8,11H2,1H3,(H,17,19)
InChIKeyCSPRIKSLLOIXKV-UHFFFAOYSA-N
XLogP3.68
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-6-methoxyphenyl)-2,2,2-trifluoroacetamide
CID 156877036
N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-4-pyrrol-1-ylbutanamide
CID 125434339
N-(2,5-dimethoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 3241935
2-chloro-N-(2,6-dimethoxyphenyl)acetamide
CID 20570575
4-(2-bromo-6-methoxyphenoxy)butanehydrazide
CID 83135162
N-(2,6-dibromophenyl)-3-sulfanylpropanamide
CID 107604205
N-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]-6-pyrrol-1-ylhexanamide
CID 127254540
N-(2-hydroxy-3-methoxypropyl)-4-pyrrol-1-ylbutanamide
CID 109408533
3-bromo-2-(hexanoylamino)benzoic acid
CID 63112965
N-(2,6-dibromophenyl)propanamide
CID 103863189
6-(2-bromo-6-methoxyphenoxy)hexanehydrazide
CID 83134301
N-(1-methylindol-4-yl)-6-pyrrol-1-ylhexanamide
CID 127254670

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-methoxyphenyl)-4-pyrrol-1-ylbutanamide?
The IUPAC name of N-(2-bromo-6-methoxyphenyl)-4-pyrrol-1-ylbutanamide (CID 122140386) is N-(2-bromo-6-methoxyphenyl)-4-pyrrol-1-ylbutanamide.
What is the SMILES notation for N-(2-bromo-6-methoxyphenyl)-4-pyrrol-1-ylbutanamide?
The canonical SMILES for N-(2-bromo-6-methoxyphenyl)-4-pyrrol-1-ylbutanamide is COc1cccc(Br)c1NC(=O)CCCn1cccc1.
What is the InChIKey of N-(2-bromo-6-methoxyphenyl)-4-pyrrol-1-ylbutanamide?
The InChIKey is CSPRIKSLLOIXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-20-13-7-4-6-12(16)15(13)17-14(19)8-5-11-18-9-2-3-10-18/h2-4,6-7,9-10H,5,8,11H2,1H3,(H,17,19).
What are the key properties of N-(2-bromo-6-methoxyphenyl)-4-pyrrol-1-ylbutanamide?
N-(2-bromo-6-methoxyphenyl)-4-pyrrol-1-ylbutanamide has a molecular weight of 337.22 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-methoxyphenyl)-4-pyrrol-1-ylbutanamide is sourced from PubChem (CID 122140386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).