2-[3-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]phenyl]acetic acid

C19H14ClNO4 — CID 59654716

IUPAC2-[3-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)c1
InChIInChI=1S/C19H14ClNO4/c20-14-5-2-4-13(11-14)16-7-8-17(25-16)19(24)21-15-6-1-3-12(9-15)10-18(22)23/h1-9,11H,10H2,(H,21,24)(H,22,23)
InChIKeyKXRHYDFMDMYJIA-UHFFFAOYSA-N
MW355.78 g/mol
LogP4.48
Rot. Bonds5

About 2-[3-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]phenyl]acetic acid

2-[3-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]phenyl]acetic acid (PubChem CID 59654716) has the molecular formula C19H14ClNO4 and a molecular weight of 355.78 g/mol. Its IUPAC name is 2-[3-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]phenyl]acetic acid
PubChem CID59654716
Molecular FormulaC19H14ClNO4
Molecular Weight355.78 g/mol
Exact Mass355.06
IUPAC Name2-[3-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)c1
InChIInChI=1S/C19H14ClNO4/c20-14-5-2-4-13(11-14)16-7-8-17(25-16)19(24)21-15-6-1-3-12(9-15)10-18(22)23/h1-9,11H,10H2,(H,21,24)(H,22,23)
InChIKeyKXRHYDFMDMYJIA-UHFFFAOYSA-N
XLogP4.48
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.78
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid
CID 11220940
5-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]-2-hydroxybenzoic acid
CID 28670286
2-[4-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid
CID 59654726
5-(3-chlorophenyl)-N-(4-methoxyphenyl)furan-2-carboxamide
CID 880701
5-(3-chlorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)furan-2-carboxamide
CID 17102575
N-(3-chlorophenyl)-5-(4-nitrophenyl)furan-2-carboxamide
CID 773409
N-[3-(1,3-benzoxazol-2-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 1348589
N-(3-benzamido-4-methylphenyl)-5-(3-chlorophenyl)furan-2-carboxamide
CID 1344294
methyl 2-[3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]phenyl]acetate
CID 59654678
5-(2,4-dichlorophenyl)-N-[3-(hydroxymethyl)phenyl]furan-2-carboxamide
CID 9092313
methyl 2-[3-[[5-(4-propan-2-ylphenyl)furan-2-carbonyl]amino]phenyl]acetate
CID 59654833
methyl 2-[3-[[5-(4-methoxyphenyl)furan-2-carbonyl]amino]phenyl]acetate
CID 59654703

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]phenyl]acetic acid (CID 59654716) is 2-[3-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]phenyl]acetic acid is O=C(O)Cc1cccc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)c1.
What is the InChIKey of 2-[3-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]phenyl]acetic acid?
The InChIKey is KXRHYDFMDMYJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO4/c20-14-5-2-4-13(11-14)16-7-8-17(25-16)19(24)21-15-6-1-3-12(9-15)10-18(22)23/h1-9,11H,10H2,(H,21,24)(H,22,23).
What are the key properties of 2-[3-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]phenyl]acetic acid?
2-[3-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]phenyl]acetic acid has a molecular weight of 355.78 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]phenyl]acetic acid is sourced from PubChem (CID 59654716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).