5-amino-4-(3-chloro-4-fluorophenyl)-5-(4-chlorophenyl)pentanoic acid

C17H16Cl2FNO2 — CID 76834841

IUPAC5-amino-4-(3-chloro-4-fluorophenyl)-5-(4-chlorophenyl)pentanoic acid
SMILESNC(c1ccc(Cl)cc1)C(CCC(=O)O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H16Cl2FNO2/c18-12-4-1-10(2-5-12)17(21)13(6-8-16(22)23)11-3-7-15(20)14(19)9-11/h1-5,7,9,13,17H,6,8,21H2,(H,22,23)
InChIKeyQDMYQPISZSUMBN-UHFFFAOYSA-N
MW356.22 g/mol
LogP4.78
Rot. Bonds6

About 5-amino-4-(3-chloro-4-fluorophenyl)-5-(4-chlorophenyl)pentanoic acid

5-amino-4-(3-chloro-4-fluorophenyl)-5-(4-chlorophenyl)pentanoic acid (PubChem CID 76834841) has the molecular formula C17H16Cl2FNO2 and a molecular weight of 356.22 g/mol. Its IUPAC name is 5-amino-4-(3-chloro-4-fluorophenyl)-5-(4-chlorophenyl)pentanoic acid.

Molecular Properties

Compound Name5-amino-4-(3-chloro-4-fluorophenyl)-5-(4-chlorophenyl)pentanoic acid
PubChem CID76834841
Molecular FormulaC17H16Cl2FNO2
Molecular Weight356.22 g/mol
Exact Mass355.05
IUPAC Name5-amino-4-(3-chloro-4-fluorophenyl)-5-(4-chlorophenyl)pentanoic acid
SMILESNC(c1ccc(Cl)cc1)C(CCC(=O)O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H16Cl2FNO2/c18-12-4-1-10(2-5-12)17(21)13(6-8-16(22)23)11-3-7-15(20)14(19)9-11/h1-5,7,9,13,17H,6,8,21H2,(H,22,23)
InChIKeyQDMYQPISZSUMBN-UHFFFAOYSA-N
XLogP4.78
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-4-(3-chloro-4-fluorophenyl)-3-methylbutanoic acid
CID 116938196
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CID 123991915
2-[amino-(3-chloro-4-fluorophenyl)methyl]butanoic acid
CID 116945097
4-amino-4-[2-chloro-4-(difluoromethyl)phenyl]butanoic acid
CID 117413959
2-amino-3-(3-chloro-4-fluorophenyl)-3-hydroxypropanoic acid
CID 81155550
3-amino-3-(3-chloro-4-fluorophenyl)propan-1-ol
CID 64814499
4-amino-4-(2,5-dichloro-4-fluorophenyl)butanoic acid
CID 117419042
4-(3-chlorophenyl)-5-(4-chlorophenyl)-5-hydroxypentanoic acid
CID 67999647
2-amino-2-(3-chloro-4-fluorophenyl)ethanol
CID 3564183
1,3-diamino-1-(3-chloro-4-fluorophenyl)propan-2-ol
CID 116942560
(4S)-4-amino-4-(3-chloro-4-fluorophenyl)butan-1-ol
CID 171220953
1-(3-chloro-4-fluorophenyl)pentane-1,4-diamine
CID 116934362

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-chloro-4-fluorophenyl)-5-(4-chlorophenyl)pentanoic acid?
The IUPAC name of 5-amino-4-(3-chloro-4-fluorophenyl)-5-(4-chlorophenyl)pentanoic acid (CID 76834841) is 5-amino-4-(3-chloro-4-fluorophenyl)-5-(4-chlorophenyl)pentanoic acid.
What is the SMILES notation for 5-amino-4-(3-chloro-4-fluorophenyl)-5-(4-chlorophenyl)pentanoic acid?
The canonical SMILES for 5-amino-4-(3-chloro-4-fluorophenyl)-5-(4-chlorophenyl)pentanoic acid is NC(c1ccc(Cl)cc1)C(CCC(=O)O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 5-amino-4-(3-chloro-4-fluorophenyl)-5-(4-chlorophenyl)pentanoic acid?
The InChIKey is QDMYQPISZSUMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2FNO2/c18-12-4-1-10(2-5-12)17(21)13(6-8-16(22)23)11-3-7-15(20)14(19)9-11/h1-5,7,9,13,17H,6,8,21H2,(H,22,23).
What are the key properties of 5-amino-4-(3-chloro-4-fluorophenyl)-5-(4-chlorophenyl)pentanoic acid?
5-amino-4-(3-chloro-4-fluorophenyl)-5-(4-chlorophenyl)pentanoic acid has a molecular weight of 356.22 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-chloro-4-fluorophenyl)-5-(4-chlorophenyl)pentanoic acid is sourced from PubChem (CID 76834841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).