4-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-1-methylpyrrole-2-carboxamide

C16H17BrN2O2 — CID 60956180

IUPAC4-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)N(Cc1cccc(O)c1)C1CC1
InChIInChI=1S/C16H17BrN2O2/c1-18-10-12(17)8-15(18)16(21)19(13-5-6-13)9-11-3-2-4-14(20)7-11/h2-4,7-8,10,13,20H,5-6,9H2,1H3
InChIKeyKBGKPFJCSZXWSC-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.30
Rot. Bonds4

About 4-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-1-methylpyrrole-2-carboxamide

4-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-1-methylpyrrole-2-carboxamide (PubChem CID 60956180) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 4-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-1-methylpyrrole-2-carboxamide
PubChem CID60956180
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name4-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Br)cc1C(=O)N(Cc1cccc(O)c1)C1CC1
InChIInChI=1S/C16H17BrN2O2/c1-18-10-12(17)8-15(18)16(21)19(13-5-6-13)9-11-3-2-4-14(20)7-11/h2-4,7-8,10,13,20H,5-6,9H2,1H3
InChIKeyKBGKPFJCSZXWSC-UHFFFAOYSA-N
XLogP3.30
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 73212661
4-bromo-N-(cyclobutylmethyl)-N-[(4-hydroxyphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 73212660
4-bromo-N-(cyclobutylmethyl)-N-[(3-hydroxyphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 73212757
4-bromo-N-(cyclobutylmethyl)-N-[(2-hydroxyphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 73212846
N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-2-(3-hydroxyphenyl)-N-methylacetamide
CID 71919905
N-(cyclopropylmethyl)-N-[(4-hydroxyphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 75384530
1-[(4-fluorophenyl)methyl]-N-[(3-hydroxyphenyl)methyl]pyrrole-2-carboxamide
CID 177375498
1-ethyl-6-(3-methoxybenzyl)-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one
CID 53164519
N-(3-bromo-4-hydroxyphenethyl)-1-methyl-1H-pyrrole-2-carboxamide
CID 50985861
4-bromo-N-[[3-(difluoromethoxy)phenyl]methyl]-1-ethylpyrrole-2-carboxamide
CID 56369446
4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 60698263
4-bromo-1-ethyl-N-(3-fluoro-4-hydroxyphenyl)pyrrole-2-carboxamide
CID 64780095

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-1-methylpyrrole-2-carboxamide (CID 60956180) is 4-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-1-methylpyrrole-2-carboxamide is Cn1cc(Br)cc1C(=O)N(Cc1cccc(O)c1)C1CC1.
What is the InChIKey of 4-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is KBGKPFJCSZXWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-18-10-12(17)8-15(18)16(21)19(13-5-6-13)9-11-3-2-4-14(20)7-11/h2-4,7-8,10,13,20H,5-6,9H2,1H3.
What are the key properties of 4-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-1-methylpyrrole-2-carboxamide?
4-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 60956180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).