4-bromo-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrrole-2-carboxamide

C17H18BrFN2O2 — CID 73212661

IUPAC4-bromo-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrrole-2-carboxamide
SMILESO=C(c1cc(Br)c[nH]1)N(Cc1ccc(O)cc1F)CC1CCC1
InChIInChI=1S/C17H18BrFN2O2/c18-13-6-16(20-8-13)17(23)21(9-11-2-1-3-11)10-12-4-5-14(22)7-15(12)19/h4-8,11,20,22H,1-3,9-10H2
InChIKeyGEFQHBCUBXSGGC-UHFFFAOYSA-N
MW381.25 g/mol
LogP4.06
Rot. Bonds5

About 4-bromo-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrrole-2-carboxamide

4-bromo-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 73212661) has the molecular formula C17H18BrFN2O2 and a molecular weight of 381.25 g/mol. Its IUPAC name is 4-bromo-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID73212661
Molecular FormulaC17H18BrFN2O2
Molecular Weight381.25 g/mol
Exact Mass380.05
IUPAC Name4-bromo-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrrole-2-carboxamide
SMILESO=C(c1cc(Br)c[nH]1)N(Cc1ccc(O)cc1F)CC1CCC1
InChIInChI=1S/C17H18BrFN2O2/c18-13-6-16(20-8-13)17(23)21(9-11-2-1-3-11)10-12-4-5-14(22)7-15(12)19/h4-8,11,20,22H,1-3,9-10H2
InChIKeyGEFQHBCUBXSGGC-UHFFFAOYSA-N
XLogP4.06
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.25
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-bromo-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrrole-2-carboxamide (CID 73212661) is 4-bromo-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrrole-2-carboxamide is O=C(c1cc(Br)c[nH]1)N(Cc1ccc(O)cc1F)CC1CCC1.
What is the InChIKey of 4-bromo-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is GEFQHBCUBXSGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFN2O2/c18-13-6-16(20-8-13)17(23)21(9-11-2-1-3-11)10-12-4-5-14(22)7-15(12)19/h4-8,11,20,22H,1-3,9-10H2.
What are the key properties of 4-bromo-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrrole-2-carboxamide?
4-bromo-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 381.25 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 73212661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).