CID 58662834

C18H15Cl2FNO5 — CID 58662834

IUPAC—
SMILESCC(C)c1cc(Oc2c(Cl)cc(C(=O)N[CH]C(=O)O)cc2Cl)cc(F)c1O
InChIInChI=1S/C18H15Cl2FNO5/c1-8(2)11-5-10(6-14(21)16(11)25)27-17-12(19)3-9(4-13(17)20)18(26)22-7-15(23)24/h3-8,25H,1-2H3,(H,22,26)(H,23,24)
InChIKeyXYJPWCVAILDPQT-UHFFFAOYSA-N
MW415.22 g/mol
LogP4.73
Rot. Bonds6

About CID 58662834

CID 58662834 (PubChem CID 58662834) has the molecular formula C18H15Cl2FNO5 and a molecular weight of 415.22 g/mol.

Molecular Properties

Compound NameCID 58662834
PubChem CID58662834
Molecular FormulaC18H15Cl2FNO5
Molecular Weight415.22 g/mol
Exact Mass414.03
IUPAC Name—
SMILESCC(C)c1cc(Oc2c(Cl)cc(C(=O)N[CH]C(=O)O)cc2Cl)cc(F)c1O
InChIInChI=1S/C18H15Cl2FNO5/c1-8(2)11-5-10(6-14(21)16(11)25)27-17-12(19)3-9(4-13(17)20)18(26)22-7-15(23)24/h3-8,25H,1-2H3,(H,22,26)(H,23,24)
InChIKeyXYJPWCVAILDPQT-UHFFFAOYSA-N
XLogP4.73
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.22
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

CID 58662835
CID 58662835
2-[[3,5-dichloro-4-(2-fluoro-4-hydroxy-5-propan-2-ylphenoxy)benzoyl]amino]acetic acid
CID 69464105
2-[[3,5-dichloro-4-(4-hydroxy-3-methyl-5-propan-2-ylphenoxy)-2-methylbenzoyl]amino]acetic acid
CID 87656667
2-[[3,5-dichloro-6-fluoro-4-(4-hydroxy-3-methyl-5-propan-2-ylphenoxy)-2-pyridinyl]amino]acetic acid
CID 20732370
2-[3,5-dichloro-N-(4-chlorobenzoyl)-4-(4-hydroxy-3-propan-2-ylphenoxy)anilino]acetic acid
CID 46851470
1-[[3,5-dichloro-4-(4-hydroxy-3-methyl-5-propan-2-ylphenoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 10479005
2-[[3,5-dibromo-4-(4-hydroxy-3-methyl-5-propan-2-ylphenoxy)benzoyl]amino]acetic acid
CID 10368718
2-[(E)-[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]methylideneamino]oxypropanoic acid
CID 46189682
3-[[3,5-dichloro-6-fluoro-4-(4-hydroxy-3-propan-2-ylphenoxy)-2-pyridinyl]amino]-2-methylpropanoic acid
CID 20732434
4-(3,3-dibromoprop-2-enoxy)-2-fluoro-6-propan-2-ylphenol
CID 54056619
2-[[6-chloro-7-(4-hydroxy-3-propan-2-ylphenoxy)-2,3-dihydro-1H-indene-4-carbonyl]amino]acetic acid
CID 58885601
3-chloro-4-methoxy-5-propan-2-ylbenzoic acid
CID 117329554

Frequently Asked Questions

What is the IUPAC name of CID 58662834?
The IUPAC name of CID 58662834 (CID 58662834) is not available.
What is the SMILES notation for CID 58662834?
The canonical SMILES for CID 58662834 is CC(C)c1cc(Oc2c(Cl)cc(C(=O)N[CH]C(=O)O)cc2Cl)cc(F)c1O.
What is the InChIKey of CID 58662834?
The InChIKey is XYJPWCVAILDPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2FNO5/c1-8(2)11-5-10(6-14(21)16(11)25)27-17-12(19)3-9(4-13(17)20)18(26)22-7-15(23)24/h3-8,25H,1-2H3,(H,22,26)(H,23,24).
What are the key properties of CID 58662834?
CID 58662834 has a molecular weight of 415.22 g/mol, XLogP of 4.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58662834 is sourced from PubChem (CID 58662834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).