4-amino-N-[(2-bromophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide

C16H20BrN3O — CID 61113889

IUPAC4-amino-N-[(2-bromophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)N(C)Cc1ccccc1Br
InChIInChI=1S/C16H20BrN3O/c1-3-8-20-11-13(18)9-15(20)16(21)19(2)10-12-6-4-5-7-14(12)17/h4-7,9,11H,3,8,10,18H2,1-2H3
InChIKeyBBDGHWHLSIKNCW-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.52
Rot. Bonds5

About 4-amino-N-[(2-bromophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide

4-amino-N-[(2-bromophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide (PubChem CID 61113889) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 4-amino-N-[(2-bromophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2-bromophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide
PubChem CID61113889
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name4-amino-N-[(2-bromophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(N)cc1C(=O)N(C)Cc1ccccc1Br
InChIInChI=1S/C16H20BrN3O/c1-3-8-20-11-13(18)9-15(20)16(21)19(2)10-12-6-4-5-7-14(12)17/h4-7,9,11H,3,8,10,18H2,1-2H3
InChIKeyBBDGHWHLSIKNCW-UHFFFAOYSA-N
XLogP3.52
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-methyl-N-[(2-methylphenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 43643888
4-amino-N-[(3-bromophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide
CID 61140816
N-[(2-bromophenyl)methyl]-4-chloro-1-ethyl-N-methylpyrrole-2-carboxamide
CID 61416672
4-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-propylpyrrole-2-carboxamide
CID 79385261
4-amino-N-methyl-1-propyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide
CID 43643682
4-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 61114885
4-amino-N-[(2-hydroxyphenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 61116274
4-amino-N-(5-hydroxypentyl)-N-methyl-1-propylpyrrole-2-carboxamide
CID 107197417
4-amino-N-methyl-1-propyl-N-pyridin-4-ylpyrrole-2-carboxamide
CID 106934249
4,5-dibromo-N-[(2-bromophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 78906851
4-amino-N-methyl-1-propyl-N-pyridin-2-ylpyrrole-2-carboxamide
CID 43643059
N-[(2-bromophenyl)methyl]-N,3-dimethylimidazole-4-carboxamide
CID 103511075

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-bromophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[(2-bromophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide (CID 61113889) is 4-amino-N-[(2-bromophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(2-bromophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[(2-bromophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide is CCCn1cc(N)cc1C(=O)N(C)Cc1ccccc1Br.
What is the InChIKey of 4-amino-N-[(2-bromophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide?
The InChIKey is BBDGHWHLSIKNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-3-8-20-11-13(18)9-15(20)16(21)19(2)10-12-6-4-5-7-14(12)17/h4-7,9,11H,3,8,10,18H2,1-2H3.
What are the key properties of 4-amino-N-[(2-bromophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide?
4-amino-N-[(2-bromophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide has a molecular weight of 350.26 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-bromophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 61113889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).