5-[[(4-chloro-1-propylpyrrole-2-carbonyl)amino]methyl]furan-2-carboxylic acid

C14H15ClN2O4 — CID 79994265

IUPAC5-[[(4-chloro-1-propylpyrrole-2-carbonyl)amino]methyl]furan-2-carboxylic acid
SMILESCCCn1cc(Cl)cc1C(=O)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C14H15ClN2O4/c1-2-5-17-8-9(15)6-11(17)13(18)16-7-10-3-4-12(21-10)14(19)20/h3-4,6,8H,2,5,7H2,1H3,(H,16,18)(H,19,20)
InChIKeyPALDGCJVMDIUSS-UHFFFAOYSA-N
MW310.74 g/mol
LogP2.77
Rot. Bonds6

About 5-[[(4-chloro-1-propylpyrrole-2-carbonyl)amino]methyl]furan-2-carboxylic acid

5-[[(4-chloro-1-propylpyrrole-2-carbonyl)amino]methyl]furan-2-carboxylic acid (PubChem CID 79994265) has the molecular formula C14H15ClN2O4 and a molecular weight of 310.74 g/mol. Its IUPAC name is 5-[[(4-chloro-1-propylpyrrole-2-carbonyl)amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(4-chloro-1-propylpyrrole-2-carbonyl)amino]methyl]furan-2-carboxylic acid
PubChem CID79994265
Molecular FormulaC14H15ClN2O4
Molecular Weight310.74 g/mol
Exact Mass310.07
IUPAC Name5-[[(4-chloro-1-propylpyrrole-2-carbonyl)amino]methyl]furan-2-carboxylic acid
SMILESCCCn1cc(Cl)cc1C(=O)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C14H15ClN2O4/c1-2-5-17-8-9(15)6-11(17)13(18)16-7-10-3-4-12(21-10)14(19)20/h3-4,6,8H,2,5,7H2,1H3,(H,16,18)(H,19,20)
InChIKeyPALDGCJVMDIUSS-UHFFFAOYSA-N
XLogP2.77
TPSA84.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide
CID 43639802
4-amino-N-[(5-methylfuran-2-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 55081690
4-chloro-1-propyl-N-(1H-pyrazol-5-ylmethyl)pyrrole-2-carboxamide
CID 61283741
4-chloro-N-(2-hydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 43639804
2-[[(4-chloro-1-propylpyrrole-2-carbonyl)amino]methyl]-3-methylbutanoic acid
CID 65220024
4-chloro-N-hex-5-ynyl-1-propylpyrrole-2-carboxamide
CID 106209755
1-[(4-chloro-1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43639770
4-chloro-N-[2-(2-hydroxyethyl)pentyl]-1-propylpyrrole-2-carboxamide
CID 106115856
5-[(3,5-dichloro-2-oxo-1-pyridinyl)methyl]furan-2-carboxylic acid
CID 82146582
N-[(4-aminophenyl)methyl]-4-bromo-1-propylpyrrole-2-carboxamide
CID 116650037
N-[[4-(aminomethyl)phenyl]methyl]-4-bromo-1-propylpyrrole-2-carboxamide
CID 81093916
2-[(4-chloro-1-propylpyrrole-2-carbonyl)amino]pentanedioic acid
CID 60832159

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-chloro-1-propylpyrrole-2-carbonyl)amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[(4-chloro-1-propylpyrrole-2-carbonyl)amino]methyl]furan-2-carboxylic acid (CID 79994265) is 5-[[(4-chloro-1-propylpyrrole-2-carbonyl)amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[(4-chloro-1-propylpyrrole-2-carbonyl)amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[(4-chloro-1-propylpyrrole-2-carbonyl)amino]methyl]furan-2-carboxylic acid is CCCn1cc(Cl)cc1C(=O)NCc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[[(4-chloro-1-propylpyrrole-2-carbonyl)amino]methyl]furan-2-carboxylic acid?
The InChIKey is PALDGCJVMDIUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O4/c1-2-5-17-8-9(15)6-11(17)13(18)16-7-10-3-4-12(21-10)14(19)20/h3-4,6,8H,2,5,7H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 5-[[(4-chloro-1-propylpyrrole-2-carbonyl)amino]methyl]furan-2-carboxylic acid?
5-[[(4-chloro-1-propylpyrrole-2-carbonyl)amino]methyl]furan-2-carboxylic acid has a molecular weight of 310.74 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-chloro-1-propylpyrrole-2-carbonyl)amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 79994265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).