5-benzamido-2-(4-chlorophenoxy)-2-methylpentanoic acid

C19H20ClNO4 — CID 70276943

IUPAC5-benzamido-2-(4-chlorophenoxy)-2-methylpentanoic acid
SMILESCC(CCCNC(=O)c1ccccc1)(Oc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C19H20ClNO4/c1-19(18(23)24,25-16-10-8-15(20)9-11-16)12-5-13-21-17(22)14-6-3-2-4-7-14/h2-4,6-11H,5,12-13H2,1H3,(H,21,22)(H,23,24)
InChIKeyLXSWSZARPDBJSM-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.77
Rot. Bonds8

About 5-benzamido-2-(4-chlorophenoxy)-2-methylpentanoic acid

5-benzamido-2-(4-chlorophenoxy)-2-methylpentanoic acid (PubChem CID 70276943) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is 5-benzamido-2-(4-chlorophenoxy)-2-methylpentanoic acid.

Molecular Properties

Compound Name5-benzamido-2-(4-chlorophenoxy)-2-methylpentanoic acid
PubChem CID70276943
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Name5-benzamido-2-(4-chlorophenoxy)-2-methylpentanoic acid
SMILESCC(CCCNC(=O)c1ccccc1)(Oc1ccc(Cl)cc1)C(=O)O
InChIInChI=1S/C19H20ClNO4/c1-19(18(23)24,25-16-10-8-15(20)9-11-16)12-5-13-21-17(22)14-6-3-2-4-7-14/h2-4,6-11H,5,12-13H2,1H3,(H,21,22)(H,23,24)
InChIKeyLXSWSZARPDBJSM-UHFFFAOYSA-N
XLogP3.77
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide
CID 3606775
4-(tribromomethoxy)-N-[7-[[4-(tribromomethoxy)benzoyl]amino]heptyl]benzamide
CID 21452884
4-chloro-N-(4-phenylbutyl)benzamide
CID 2057490
N-[2-(4-chloroanilino)ethyl]benzamide
CID 15324175
methyl 2-[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-2-methylpropanoate
CID 125389450
3-(4-chlorophenyl)-2-methyl-2-(4-phenoxyphenoxy)propanoic acid
CID 10619958
N-[4-(4-chlorophenoxy)butyl]-4-(dimethylamino)benzamide
CID 24552497
tert-butyl-[3-[(4-phenoxybenzoyl)amino]propyl]azanium
CID 9089830
4-chloro-N-[4-oxo-4-(2-phenoxyethylamino)butyl]benzamide
CID 26903822
4-chloro-N-[2-[4-(2-methyl-3-oxobutan-2-yl)oxyphenyl]ethyl]benzamide;ethane;propane
CID 144618538
N-[2-[(S)-tert-butylsulfinyl]ethyl]-4-chlorobenzamide
CID 95623408
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742

Frequently Asked Questions

What is the IUPAC name of 5-benzamido-2-(4-chlorophenoxy)-2-methylpentanoic acid?
The IUPAC name of 5-benzamido-2-(4-chlorophenoxy)-2-methylpentanoic acid (CID 70276943) is 5-benzamido-2-(4-chlorophenoxy)-2-methylpentanoic acid.
What is the SMILES notation for 5-benzamido-2-(4-chlorophenoxy)-2-methylpentanoic acid?
The canonical SMILES for 5-benzamido-2-(4-chlorophenoxy)-2-methylpentanoic acid is CC(CCCNC(=O)c1ccccc1)(Oc1ccc(Cl)cc1)C(=O)O.
What is the InChIKey of 5-benzamido-2-(4-chlorophenoxy)-2-methylpentanoic acid?
The InChIKey is LXSWSZARPDBJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-19(18(23)24,25-16-10-8-15(20)9-11-16)12-5-13-21-17(22)14-6-3-2-4-7-14/h2-4,6-11H,5,12-13H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 5-benzamido-2-(4-chlorophenoxy)-2-methylpentanoic acid?
5-benzamido-2-(4-chlorophenoxy)-2-methylpentanoic acid has a molecular weight of 361.83 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzamido-2-(4-chlorophenoxy)-2-methylpentanoic acid is sourced from PubChem (CID 70276943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).