4-bromo-N-(cyclopropylmethyl)-1-propylpyrrole-2-carboxamide

C12H17BrN2O — CID 43640684

IUPAC4-bromo-N-(cyclopropylmethyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)NCC1CC1
InChIInChI=1S/C12H17BrN2O/c1-2-5-15-8-10(13)6-11(15)12(16)14-7-9-3-4-9/h6,8-9H,2-5,7H2,1H3,(H,14,16)
InChIKeyUKTDSLKHQQODLU-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.80
Rot. Bonds5

About 4-bromo-N-(cyclopropylmethyl)-1-propylpyrrole-2-carboxamide

4-bromo-N-(cyclopropylmethyl)-1-propylpyrrole-2-carboxamide (PubChem CID 43640684) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 4-bromo-N-(cyclopropylmethyl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(cyclopropylmethyl)-1-propylpyrrole-2-carboxamide
PubChem CID43640684
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name4-bromo-N-(cyclopropylmethyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)NCC1CC1
InChIInChI=1S/C12H17BrN2O/c1-2-5-15-8-10(13)6-11(15)12(16)14-7-9-3-4-9/h6,8-9H,2-5,7H2,1H3,(H,14,16)
InChIKeyUKTDSLKHQQODLU-UHFFFAOYSA-N
XLogP2.80
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(oxan-4-ylmethyl)-1-propylpyrrole-2-carboxamide
CID 55226070
4-bromo-N-(oxolan-3-ylmethyl)-1-propylpyrrole-2-carboxamide
CID 54932144
4-bromo-1-propyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrrole-2-carboxamide
CID 79351058
4-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide
CID 63243289
4-amino-N-[(4-ethylcyclohexyl)methyl]-1-propylpyrrole-2-carboxamide
CID 61117906
4-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-propylpyrrole-2-carboxamide
CID 61242007
4-bromo-1-ethyl-N-[(3-hydroxycyclobutyl)methyl]pyrrole-2-carboxamide
CID 66005799
4-amino-N-[(3-methylcyclopentyl)methyl]-1-propylpyrrole-2-carboxamide
CID 107411013
4-bromo-N-(3-hydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 43639903
3-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 62675869
4-bromo-N-(2-methylcyclopropyl)-1-propylpyrrole-2-carboxamide
CID 62408221
3-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-2-methoxypropanoic acid
CID 114144339

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(cyclopropylmethyl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(cyclopropylmethyl)-1-propylpyrrole-2-carboxamide (CID 43640684) is 4-bromo-N-(cyclopropylmethyl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(cyclopropylmethyl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(cyclopropylmethyl)-1-propylpyrrole-2-carboxamide is CCCn1cc(Br)cc1C(=O)NCC1CC1.
What is the InChIKey of 4-bromo-N-(cyclopropylmethyl)-1-propylpyrrole-2-carboxamide?
The InChIKey is UKTDSLKHQQODLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-2-5-15-8-10(13)6-11(15)12(16)14-7-9-3-4-9/h6,8-9H,2-5,7H2,1H3,(H,14,16).
What are the key properties of 4-bromo-N-(cyclopropylmethyl)-1-propylpyrrole-2-carboxamide?
4-bromo-N-(cyclopropylmethyl)-1-propylpyrrole-2-carboxamide has a molecular weight of 285.19 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(cyclopropylmethyl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 43640684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).