N-[(3-bromophenyl)methyl]-1-propylpyrrole-2-carboxamide

C15H17BrN2O — CID 61410236

IUPACN-[(3-bromophenyl)methyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cccc1C(=O)NCc1cccc(Br)c1
InChIInChI=1S/C15H17BrN2O/c1-2-8-18-9-4-7-14(18)15(19)17-11-12-5-3-6-13(16)10-12/h3-7,9-10H,2,8,11H2,1H3,(H,17,19)
InChIKeyKLCODNMEAVWGOZ-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.59
Rot. Bonds5

About N-[(3-bromophenyl)methyl]-1-propylpyrrole-2-carboxamide

N-[(3-bromophenyl)methyl]-1-propylpyrrole-2-carboxamide (PubChem CID 61410236) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-1-propylpyrrole-2-carboxamide
PubChem CID61410236
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC NameN-[(3-bromophenyl)methyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cccc1C(=O)NCc1cccc(Br)c1
InChIInChI=1S/C15H17BrN2O/c1-2-8-18-9-4-7-14(18)15(19)17-11-12-5-3-6-13(16)10-12/h3-7,9-10H,2,8,11H2,1H3,(H,17,19)
InChIKeyKLCODNMEAVWGOZ-UHFFFAOYSA-N
XLogP3.59
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(1-propylpyrrole-2-carbonyl)amino]methyl]benzoic acid
CID 60893878
N-[(4-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide
CID 61400981
N-[(2-hydroxyphenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 114332469
4-amino-N-[(3-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide
CID 61400973
N-(4-bromophenyl)-1-propylpyrrole-2-carboxamide
CID 43639066
N-[[4-(aminomethyl)phenyl]methyl]-4-bromo-1-propylpyrrole-2-carboxamide
CID 81093916
2,4-dibromo-N-[(3-bromophenyl)methyl]benzamide
CID 107939159
1-ethyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 141085829
3-amino-N-[(3-bromophenyl)methyl]-4-methylbenzamide
CID 61400942
2-methoxy-3-[(1-propylpyrrole-2-carbonyl)amino]propanoic acid
CID 106108154
1-[[(1-propylpyrrole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449375
4-bromo-N-[(1-methylpyrrol-2-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 114186333

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-1-propylpyrrole-2-carboxamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-1-propylpyrrole-2-carboxamide (CID 61410236) is N-[(3-bromophenyl)methyl]-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-1-propylpyrrole-2-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-1-propylpyrrole-2-carboxamide is CCCn1cccc1C(=O)NCc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-1-propylpyrrole-2-carboxamide?
The InChIKey is KLCODNMEAVWGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-2-8-18-9-4-7-14(18)15(19)17-11-12-5-3-6-13(16)10-12/h3-7,9-10H,2,8,11H2,1H3,(H,17,19).
What are the key properties of N-[(3-bromophenyl)methyl]-1-propylpyrrole-2-carboxamide?
N-[(3-bromophenyl)methyl]-1-propylpyrrole-2-carboxamide has a molecular weight of 321.22 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 61410236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).