(3R)-3-(4-chloro-3-fluorophenyl)-3-(furan-3-carbonylamino)propanoic acid

C14H11ClFNO4 — CID 97337496

IUPAC(3R)-3-(4-chloro-3-fluorophenyl)-3-(furan-3-carbonylamino)propanoic acid
SMILESO=C(O)C[C@@H](NC(=O)c1ccoc1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H11ClFNO4/c15-10-2-1-8(5-11(10)16)12(6-13(18)19)17-14(20)9-3-4-21-7-9/h1-5,7,12H,6H2,(H,17,20)(H,18,19)/t12-/m1/s1
InChIKeyRZIIGWXIRXNDQA-GFCCVEGCSA-N
MW311.70 g/mol
LogP3.02
Rot. Bonds5

About (3R)-3-(4-chloro-3-fluorophenyl)-3-(furan-3-carbonylamino)propanoic acid

(3R)-3-(4-chloro-3-fluorophenyl)-3-(furan-3-carbonylamino)propanoic acid (PubChem CID 97337496) has the molecular formula C14H11ClFNO4 and a molecular weight of 311.70 g/mol. Its IUPAC name is (3R)-3-(4-chloro-3-fluorophenyl)-3-(furan-3-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(3R)-3-(4-chloro-3-fluorophenyl)-3-(furan-3-carbonylamino)propanoic acid
PubChem CID97337496
Molecular FormulaC14H11ClFNO4
Molecular Weight311.70 g/mol
Exact Mass311.04
IUPAC Name(3R)-3-(4-chloro-3-fluorophenyl)-3-(furan-3-carbonylamino)propanoic acid
SMILESO=C(O)C[C@@H](NC(=O)c1ccoc1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H11ClFNO4/c15-10-2-1-8(5-11(10)16)12(6-13(18)19)17-14(20)9-3-4-21-7-9/h1-5,7,12H,6H2,(H,17,20)(H,18,19)/t12-/m1/s1
InChIKeyRZIIGWXIRXNDQA-GFCCVEGCSA-N
XLogP3.02
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.70
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(4-chloro-3-fluorophenyl)-3-(pyridine-3-carbonylamino)propanoic acid
CID 97259466
(3R)-3-(4-bromophenyl)-3-(furan-3-carbonylamino)propanoic acid
CID 97209280
3-(4-bromophenyl)-3-(furan-3-carbonylamino)propanoic acid
CID 75417900
3-(4-chloro-3-fluorophenyl)-3-[(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)amino]propanoic acid
CID 120531613
N-[(1S)-1-(4-chlorophenyl)propyl]furan-3-carboxamide
CID 41490385
(3R)-3-(4-chloro-3-fluorophenyl)-3-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 99781236
4-acetyl-N-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]benzamide
CID 99699618
3-(4-chloro-3-fluorophenyl)-3-[[2-(2,2,2-trifluoroethylsulfanyl)acetyl]amino]propanoic acid
CID 120531611
3-(4-chloro-3-fluorophenyl)-3-[[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]amino]propanoic acid
CID 75446014
N-[1-(3,4-difluorophenyl)ethyl]furan-3-carboxamide
CID 51265265
N-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]furan-3-carboxamide
CID 124872786
N-[1-(3-chlorophenyl)propyl]furan-3-carboxamide
CID 75871852

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-chloro-3-fluorophenyl)-3-(furan-3-carbonylamino)propanoic acid?
The IUPAC name of (3R)-3-(4-chloro-3-fluorophenyl)-3-(furan-3-carbonylamino)propanoic acid (CID 97337496) is (3R)-3-(4-chloro-3-fluorophenyl)-3-(furan-3-carbonylamino)propanoic acid.
What is the SMILES notation for (3R)-3-(4-chloro-3-fluorophenyl)-3-(furan-3-carbonylamino)propanoic acid?
The canonical SMILES for (3R)-3-(4-chloro-3-fluorophenyl)-3-(furan-3-carbonylamino)propanoic acid is O=C(O)C[C@@H](NC(=O)c1ccoc1)c1ccc(Cl)c(F)c1.
What is the InChIKey of (3R)-3-(4-chloro-3-fluorophenyl)-3-(furan-3-carbonylamino)propanoic acid?
The InChIKey is RZIIGWXIRXNDQA-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H11ClFNO4/c15-10-2-1-8(5-11(10)16)12(6-13(18)19)17-14(20)9-3-4-21-7-9/h1-5,7,12H,6H2,(H,17,20)(H,18,19)/t12-/m1/s1.
What are the key properties of (3R)-3-(4-chloro-3-fluorophenyl)-3-(furan-3-carbonylamino)propanoic acid?
(3R)-3-(4-chloro-3-fluorophenyl)-3-(furan-3-carbonylamino)propanoic acid has a molecular weight of 311.70 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chloro-3-fluorophenyl)-3-(furan-3-carbonylamino)propanoic acid is sourced from PubChem (CID 97337496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).