3-[5-(4-chlorophenyl)-1-(furan-2-carbonylamino)pyrrol-2-yl]propanoic acid

C18H15ClN2O4 — CID 21383160

IUPAC3-[5-(4-chlorophenyl)-1-(furan-2-carbonylamino)pyrrol-2-yl]propanoic acid
SMILESO=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1NC(=O)c1ccco1
InChIInChI=1S/C18H15ClN2O4/c19-13-5-3-12(4-6-13)15-9-7-14(8-10-17(22)23)21(15)20-18(24)16-2-1-11-25-16/h1-7,9,11H,8,10H2,(H,20,24)(H,22,23)
InChIKeyZPQPQRSSBZGMKH-UHFFFAOYSA-N
MW358.78 g/mol
LogP3.80
Rot. Bonds6

About 3-[5-(4-chlorophenyl)-1-(furan-2-carbonylamino)pyrrol-2-yl]propanoic acid

3-[5-(4-chlorophenyl)-1-(furan-2-carbonylamino)pyrrol-2-yl]propanoic acid (PubChem CID 21383160) has the molecular formula C18H15ClN2O4 and a molecular weight of 358.78 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-1-(furan-2-carbonylamino)pyrrol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-1-(furan-2-carbonylamino)pyrrol-2-yl]propanoic acid
PubChem CID21383160
Molecular FormulaC18H15ClN2O4
Molecular Weight358.78 g/mol
Exact Mass358.07
IUPAC Name3-[5-(4-chlorophenyl)-1-(furan-2-carbonylamino)pyrrol-2-yl]propanoic acid
SMILESO=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1NC(=O)c1ccco1
InChIInChI=1S/C18H15ClN2O4/c19-13-5-3-12(4-6-13)15-9-7-14(8-10-17(22)23)21(15)20-18(24)16-2-1-11-25-16/h1-7,9,11H,8,10H2,(H,20,24)(H,22,23)
InChIKeyZPQPQRSSBZGMKH-UHFFFAOYSA-N
XLogP3.80
TPSA84.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.78
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(furan-2-carbonylamino)-5-thiophen-2-ylpyrrol-2-yl]propanoic acid
CID 935288
3-[1-[(2-bromobenzoyl)amino]-5-(4-chlorophenyl)pyrrol-2-yl]propanoic acid
CID 1276279
3-[1-[(2,4-dichlorobenzoyl)amino]-5-phenylpyrrol-2-yl]propanoic acid
CID 1255522
3-[5-(4-bromophenyl)-1-[(4-hydroxybenzoyl)amino]pyrrol-2-yl]propanoic acid
CID 1317354
4-chloro-N-(2,5-diphenylpyrrol-1-yl)benzamide
CID 134096030
3-(furan-2-carbonylamino)propanoic acid
CID 762504
3-[5-(4-chlorophenyl)-1-(3,5-dimethylphenyl)pyrrol-2-yl]propanoic acid
CID 3936123
3-(4-chlorophenyl)-1-(furan-2-yl)propan-1-one
CID 175418899
N-[(E)-[4-(4-chlorophenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]furan-2-carboxamide
CID 10315697
N'-(4-chlorophenyl)furan-2-carbohydrazide
CID 3043690
N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]furan-2-carboxamide
CID 46267588
N-[4-[(4-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 823701

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-1-(furan-2-carbonylamino)pyrrol-2-yl]propanoic acid?
The IUPAC name of 3-[5-(4-chlorophenyl)-1-(furan-2-carbonylamino)pyrrol-2-yl]propanoic acid (CID 21383160) is 3-[5-(4-chlorophenyl)-1-(furan-2-carbonylamino)pyrrol-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-1-(furan-2-carbonylamino)pyrrol-2-yl]propanoic acid?
The canonical SMILES for 3-[5-(4-chlorophenyl)-1-(furan-2-carbonylamino)pyrrol-2-yl]propanoic acid is O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1NC(=O)c1ccco1.
What is the InChIKey of 3-[5-(4-chlorophenyl)-1-(furan-2-carbonylamino)pyrrol-2-yl]propanoic acid?
The InChIKey is ZPQPQRSSBZGMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O4/c19-13-5-3-12(4-6-13)15-9-7-14(8-10-17(22)23)21(15)20-18(24)16-2-1-11-25-16/h1-7,9,11H,8,10H2,(H,20,24)(H,22,23).
What are the key properties of 3-[5-(4-chlorophenyl)-1-(furan-2-carbonylamino)pyrrol-2-yl]propanoic acid?
3-[5-(4-chlorophenyl)-1-(furan-2-carbonylamino)pyrrol-2-yl]propanoic acid has a molecular weight of 358.78 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-1-(furan-2-carbonylamino)pyrrol-2-yl]propanoic acid is sourced from PubChem (CID 21383160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).