2-[[[3-(3,4-dichlorophenyl)-3-hydroxypropanoyl]amino]methyl]furan-3-carboxylic acid

C15H13Cl2NO5 — CID 166376659

IUPAC2-[[[3-(3,4-dichlorophenyl)-3-hydroxypropanoyl]amino]methyl]furan-3-carboxylic acid
SMILESO=C(CC(O)c1ccc(Cl)c(Cl)c1)NCc1occc1C(=O)O
InChIInChI=1S/C15H13Cl2NO5/c16-10-2-1-8(5-11(10)17)12(19)6-14(20)18-7-13-9(15(21)22)3-4-23-13/h1-5,12,19H,6-7H2,(H,18,20)(H,21,22)
InChIKeyONDVIEJILXZEFK-UHFFFAOYSA-N
MW358.18 g/mol
LogP3.02
Rot. Bonds6

About 2-[[[3-(3,4-dichlorophenyl)-3-hydroxypropanoyl]amino]methyl]furan-3-carboxylic acid

2-[[[3-(3,4-dichlorophenyl)-3-hydroxypropanoyl]amino]methyl]furan-3-carboxylic acid (PubChem CID 166376659) has the molecular formula C15H13Cl2NO5 and a molecular weight of 358.18 g/mol. Its IUPAC name is 2-[[[3-(3,4-dichlorophenyl)-3-hydroxypropanoyl]amino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[[[3-(3,4-dichlorophenyl)-3-hydroxypropanoyl]amino]methyl]furan-3-carboxylic acid
PubChem CID166376659
Molecular FormulaC15H13Cl2NO5
Molecular Weight358.18 g/mol
Exact Mass357.02
IUPAC Name2-[[[3-(3,4-dichlorophenyl)-3-hydroxypropanoyl]amino]methyl]furan-3-carboxylic acid
SMILESO=C(CC(O)c1ccc(Cl)c(Cl)c1)NCc1occc1C(=O)O
InChIInChI=1S/C15H13Cl2NO5/c16-10-2-1-8(5-11(10)17)12(19)6-14(20)18-7-13-9(15(21)22)3-4-23-13/h1-5,12,19H,6-7H2,(H,18,20)(H,21,22)
InChIKeyONDVIEJILXZEFK-UHFFFAOYSA-N
XLogP3.02
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.18
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]furan-3-carboxylic acid
CID 103257184
2-[(3,4-dichlorophenoxy)methyl]furan-3-carboxylic acid
CID 43419560
2-[(5-amino-2-chlorophenyl)sulfanylmethyl]furan-3-carboxylic acid
CID 79134512
2-[[(3,5-dichloro-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)amino]methyl]furan-3-carboxylic acid
CID 103252554
(4S)-4-(3,4-dichlorophenyl)-4-hydroxybutan-2-one
CID 101046383
2-[[(2-methylfuran-3-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 23825130
2-[[[(1S)-1-(3-chlorophenyl)ethyl]amino]methyl]furan-3-carboxylic acid
CID 103259212
2-[(2-hydroxyethylamino)methyl]furan-3-carboxylic acid
CID 103238234
2-[(2-bromo-5-chloroanilino)methyl]furan-3-carboxylic acid
CID 103259571
3-[[3-(3,4-dichlorophenyl)-3-hydroxypropyl]-methylamino]propanoic acid
CID 110830643
2-[(3-propan-2-ylanilino)methyl]furan-3-carboxylic acid
CID 103236549
2-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]furan-3-carboxylic acid
CID 103243980

Frequently Asked Questions

What is the IUPAC name of 2-[[[3-(3,4-dichlorophenyl)-3-hydroxypropanoyl]amino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-[[[3-(3,4-dichlorophenyl)-3-hydroxypropanoyl]amino]methyl]furan-3-carboxylic acid (CID 166376659) is 2-[[[3-(3,4-dichlorophenyl)-3-hydroxypropanoyl]amino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[[[3-(3,4-dichlorophenyl)-3-hydroxypropanoyl]amino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[[[3-(3,4-dichlorophenyl)-3-hydroxypropanoyl]amino]methyl]furan-3-carboxylic acid is O=C(CC(O)c1ccc(Cl)c(Cl)c1)NCc1occc1C(=O)O.
What is the InChIKey of 2-[[[3-(3,4-dichlorophenyl)-3-hydroxypropanoyl]amino]methyl]furan-3-carboxylic acid?
The InChIKey is ONDVIEJILXZEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO5/c16-10-2-1-8(5-11(10)17)12(19)6-14(20)18-7-13-9(15(21)22)3-4-23-13/h1-5,12,19H,6-7H2,(H,18,20)(H,21,22).
What are the key properties of 2-[[[3-(3,4-dichlorophenyl)-3-hydroxypropanoyl]amino]methyl]furan-3-carboxylic acid?
2-[[[3-(3,4-dichlorophenyl)-3-hydroxypropanoyl]amino]methyl]furan-3-carboxylic acid has a molecular weight of 358.18 g/mol, XLogP of 3.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[3-(3,4-dichlorophenyl)-3-hydroxypropanoyl]amino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 166376659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).