4-bromo-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1H-pyrrole-2-carboxamide

C15H15BrN2O2 — CID 47116194

IUPAC4-bromo-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCC1COc2ccccc2C1)c1cc(Br)c[nH]1
InChIInChI=1S/C15H15BrN2O2/c16-12-6-13(17-8-12)15(19)18-7-10-5-11-3-1-2-4-14(11)20-9-10/h1-4,6,8,10,17H,5,7,9H2,(H,18,19)
InChIKeyGRZSQWMNQZWSQX-UHFFFAOYSA-N
MW335.20 g/mol
LogP2.76
Rot. Bonds3

About 4-bromo-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1H-pyrrole-2-carboxamide

4-bromo-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1H-pyrrole-2-carboxamide (PubChem CID 47116194) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 4-bromo-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1H-pyrrole-2-carboxamide
PubChem CID47116194
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name4-bromo-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCC1COc2ccccc2C1)c1cc(Br)c[nH]1
InChIInChI=1S/C15H15BrN2O2/c16-12-6-13(17-8-12)15(19)18-7-10-5-11-3-1-2-4-14(11)20-9-10/h1-4,6,8,10,17H,5,7,9H2,(H,18,19)
InChIKeyGRZSQWMNQZWSQX-UHFFFAOYSA-N
XLogP2.76
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-bromo-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-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

Related Compounds

4-bromo-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1H-pyrrole-2-carboxamide
CID 51891597
5-bromo-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-fluorobenzamide
CID 51212142
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 97284274
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-2-carboxamide
CID 99779688
2-[(2-bromobenzoyl)amino]-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzamide
CID 55394934
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 102556008
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-methylbenzamide
CID 51211932
4-bromo-N-[[(3S)-oxolan-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 93318154
N-(3,4-dihydro-2H-chromen-3-ylmethyl)pyrazine-2-carboxamide
CID 47115544
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-5-propyl-1,2-oxazole-3-carboxamide
CID 72915757
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(trifluoromethyl)benzamide
CID 40918040
1-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylurea
CID 47117479

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1H-pyrrole-2-carboxamide (CID 47116194) is 4-bromo-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1H-pyrrole-2-carboxamide is O=C(NCC1COc2ccccc2C1)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is GRZSQWMNQZWSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c16-12-6-13(17-8-12)15(19)18-7-10-5-11-3-1-2-4-14(11)20-9-10/h1-4,6,8,10,17H,5,7,9H2,(H,18,19).
What are the key properties of 4-bromo-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1H-pyrrole-2-carboxamide?
4-bromo-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 335.20 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 47116194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).