N-(3-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide

C14H15BrN2O — CID 43639199

IUPACN-(3-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cccc1C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C14H15BrN2O/c1-10(2)17-8-4-7-13(17)14(18)16-12-6-3-5-11(15)9-12/h3-10H,1-2H3,(H,16,18)
InChIKeyNCMDXIJEIWSNIC-UHFFFAOYSA-N
MW307.19 g/mol
LogP4.08
Rot. Bonds3

About N-(3-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide

N-(3-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 43639199) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is N-(3-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID43639199
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC NameN-(3-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cccc1C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C14H15BrN2O/c1-10(2)17-8-4-7-13(17)14(18)16-12-6-3-5-11(15)9-12/h3-10H,1-2H3,(H,16,18)
InChIKeyNCMDXIJEIWSNIC-UHFFFAOYSA-N
XLogP4.08
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(hydroxymethyl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 64794309
N-(6-bromo-2-methyl-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 103909507
N-(5-bromo-4-fluoro-2-methylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 103274919
N-(3-bromophenyl)-2-hydroxypropanamide
CID 82130318
3-N,5-N-bis(3-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxamide
CID 56851222
N-(2-chloro-4-iodophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 103873896
N-(3-bromophenyl)-6-chloro-4-oxo-1-propan-2-ylquinoline-3-carboxamide
CID 39851504
2-bromo-N-(3-bromophenyl)-3-methylbutanamide
CID 24698066
(2R)-N-(3-bromophenyl)-2-methylbutanamide
CID 670010
2-[4-[(1-propan-2-ylpyrrole-2-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 61017856
4-bromo-N-(4-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43640158
N-(6-chloropyrimidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 114050020

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of N-(3-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide (CID 43639199) is N-(3-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cccc1C(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is NCMDXIJEIWSNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-10(2)17-8-4-7-13(17)14(18)16-12-6-3-5-11(15)9-12/h3-10H,1-2H3,(H,16,18).
What are the key properties of N-(3-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide?
N-(3-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 307.19 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 43639199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).