4-bromo-N,N-bis(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide

C12H19BrN2O3 — CID 60955764

IUPAC4-bromo-N,N-bis(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)N(CCO)CCO
InChIInChI=1S/C12H19BrN2O3/c1-2-3-15-9-10(13)8-11(15)12(18)14(4-6-16)5-7-17/h8-9,16-17H,2-7H2,1H3
InChIKeyNTYHCCPKJDWTFO-UHFFFAOYSA-N
MW319.20 g/mol
LogP1.09
Rot. Bonds7

About 4-bromo-N,N-bis(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide

4-bromo-N,N-bis(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide (PubChem CID 60955764) has the molecular formula C12H19BrN2O3 and a molecular weight of 319.20 g/mol. Its IUPAC name is 4-bromo-N,N-bis(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N,N-bis(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide
PubChem CID60955764
Molecular FormulaC12H19BrN2O3
Molecular Weight319.20 g/mol
Exact Mass318.06
IUPAC Name4-bromo-N,N-bis(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)N(CCO)CCO
InChIInChI=1S/C12H19BrN2O3/c1-2-3-15-9-10(13)8-11(15)12(18)14(4-6-16)5-7-17/h8-9,16-17H,2-7H2,1H3
InChIKeyNTYHCCPKJDWTFO-UHFFFAOYSA-N
XLogP1.09
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N,N-dibutyl-1-propylpyrrole-2-carboxamide
CID 43641393
4-bromo-N-ethyl-N-(3-hydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 113468701
N-butyl-4-chloro-N-(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide
CID 61448259
4-bromo-N-hexyl-N-(2-hydroxyethyl)-1-methylpyrrole-2-carboxamide
CID 54878088
4-bromo-N-cyclopropyl-N,1-dipropylpyrrole-2-carboxamide
CID 43641514
4-bromo-N-pentyl-N-propan-2-yl-1-propylpyrrole-2-carboxamide
CID 60956424
4-bromo-N-(3-hydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 43639903
4-bromo-N,N,1-triethylpyrrole-2-carboxamide
CID 43640587
4-bromo-N-(1-cyanopropan-2-yl)-N-methyl-1-propylpyrrole-2-carboxamide
CID 63224601
4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1-propylpyrrole-2-carboxamide
CID 63525471
N-(azetidin-3-yl)-4-bromo-N-methyl-1-propylpyrrole-2-carboxamide
CID 66187541
4-bromo-N-methyl-N-[2-(methylamino)-2-oxoethyl]-1-propylpyrrole-2-carboxamide
CID 43641605

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,N-bis(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N,N-bis(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide (CID 60955764) is 4-bromo-N,N-bis(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N,N-bis(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N,N-bis(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide is CCCn1cc(Br)cc1C(=O)N(CCO)CCO.
What is the InChIKey of 4-bromo-N,N-bis(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide?
The InChIKey is NTYHCCPKJDWTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O3/c1-2-3-15-9-10(13)8-11(15)12(18)14(4-6-16)5-7-17/h8-9,16-17H,2-7H2,1H3.
What are the key properties of 4-bromo-N,N-bis(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide?
4-bromo-N,N-bis(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide has a molecular weight of 319.20 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N-bis(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 60955764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).