6-[(4-chloro-2-hydroxybenzoyl)amino]-2-methylheptanoic acid

C15H20ClNO4 — CID 65285765

IUPAC6-[(4-chloro-2-hydroxybenzoyl)amino]-2-methylheptanoic acid
SMILESCC(CCCC(C)C(=O)O)NC(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C15H20ClNO4/c1-9(15(20)21)4-3-5-10(2)17-14(19)12-7-6-11(16)8-13(12)18/h6-10,18H,3-5H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyYEXOTGARMBXNNB-UHFFFAOYSA-N
MW313.78 g/mol
LogP3.05
Rot. Bonds7

About 6-[(4-chloro-2-hydroxybenzoyl)amino]-2-methylheptanoic acid

6-[(4-chloro-2-hydroxybenzoyl)amino]-2-methylheptanoic acid (PubChem CID 65285765) has the molecular formula C15H20ClNO4 and a molecular weight of 313.78 g/mol. Its IUPAC name is 6-[(4-chloro-2-hydroxybenzoyl)amino]-2-methylheptanoic acid.

Molecular Properties

Compound Name6-[(4-chloro-2-hydroxybenzoyl)amino]-2-methylheptanoic acid
PubChem CID65285765
Molecular FormulaC15H20ClNO4
Molecular Weight313.78 g/mol
Exact Mass313.11
IUPAC Name6-[(4-chloro-2-hydroxybenzoyl)amino]-2-methylheptanoic acid
SMILESCC(CCCC(C)C(=O)O)NC(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C15H20ClNO4/c1-9(15(20)21)4-3-5-10(2)17-14(19)12-7-6-11(16)8-13(12)18/h6-10,18H,3-5H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyYEXOTGARMBXNNB-UHFFFAOYSA-N
XLogP3.05
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-hydroxy-N-pent-4-yn-2-ylbenzamide
CID 115665138
2-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid
CID 43185164
6-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylheptanoic acid
CID 115298555
2-[(4-chloro-2-hydroxybenzoyl)amino]-3-methoxypropanoic acid
CID 81076526
6-[(2-fluorobenzoyl)amino]-2-methylheptanoic acid
CID 65286202
6-[(2-bromo-4-fluorobenzoyl)amino]-2-methylheptanoic acid
CID 65285579
2,4-dichloro-N-(5-chloropentan-2-yl)benzamide
CID 114305887
5-[(4-chloro-2-fluorobenzoyl)amino]-2-methylpentanoic acid
CID 104682759
5-[(5-chloro-2-methylbenzoyl)amino]-2-methylpentanoic acid
CID 104681937
methyl 2-[(4-chloro-2-hydroxybenzoyl)amino]-3-hydroxypropanoate
CID 43405857
2-[[(4-chloro-2-hydroxybenzoyl)amino]methyl]-3-methylbutanoic acid
CID 65220450
4-chloro-N-(2-chloropropyl)-2-hydroxybenzamide
CID 114296442

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chloro-2-hydroxybenzoyl)amino]-2-methylheptanoic acid?
The IUPAC name of 6-[(4-chloro-2-hydroxybenzoyl)amino]-2-methylheptanoic acid (CID 65285765) is 6-[(4-chloro-2-hydroxybenzoyl)amino]-2-methylheptanoic acid.
What is the SMILES notation for 6-[(4-chloro-2-hydroxybenzoyl)amino]-2-methylheptanoic acid?
The canonical SMILES for 6-[(4-chloro-2-hydroxybenzoyl)amino]-2-methylheptanoic acid is CC(CCCC(C)C(=O)O)NC(=O)c1ccc(Cl)cc1O.
What is the InChIKey of 6-[(4-chloro-2-hydroxybenzoyl)amino]-2-methylheptanoic acid?
The InChIKey is YEXOTGARMBXNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO4/c1-9(15(20)21)4-3-5-10(2)17-14(19)12-7-6-11(16)8-13(12)18/h6-10,18H,3-5H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 6-[(4-chloro-2-hydroxybenzoyl)amino]-2-methylheptanoic acid?
6-[(4-chloro-2-hydroxybenzoyl)amino]-2-methylheptanoic acid has a molecular weight of 313.78 g/mol, XLogP of 3.05, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chloro-2-hydroxybenzoyl)amino]-2-methylheptanoic acid is sourced from PubChem (CID 65285765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).