2-chloro-5-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]benzoic acid

C19H20ClNO4 — CID 10406316

IUPAC2-chloro-5-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]benzoic acid
SMILESCc1cc(OCC(=O)Nc2ccc(Cl)c(C(=O)O)c2)ccc1C(C)C
InChIInChI=1S/C19H20ClNO4/c1-11(2)15-6-5-14(8-12(15)3)25-10-18(22)21-13-4-7-17(20)16(9-13)19(23)24/h4-9,11H,10H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyMSHHWXRFNXQDAR-UHFFFAOYSA-N
MW361.83 g/mol
LogP4.49
Rot. Bonds6

About 2-chloro-5-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]benzoic acid

2-chloro-5-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]benzoic acid (PubChem CID 10406316) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is 2-chloro-5-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]benzoic acid
PubChem CID10406316
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Name2-chloro-5-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]benzoic acid
SMILESCc1cc(OCC(=O)Nc2ccc(Cl)c(C(=O)O)c2)ccc1C(C)C
InChIInChI=1S/C19H20ClNO4/c1-11(2)15-6-5-14(8-12(15)3)25-10-18(22)21-13-4-7-17(20)16(9-13)19(23)24/h4-9,11H,10H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyMSHHWXRFNXQDAR-UHFFFAOYSA-N
XLogP4.49
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-5-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]benzoic acid with MolForge

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 1185679
N-(2,5-dichlorophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 7899903
N-(3-methylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 729999
2-chloro-5-[[2-(3,4-dimethylphenoxy)acetyl]carbamothioylamino]benzoic acid
CID 4507063
2-(3-methyl-4-propan-2-ylphenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 1185687
N-(2-chloro-4-fluorophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 26693197
methyl 3-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 730025
amino 3-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 163662061
2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]acetic acid
CID 9170871
2-(4-chloro-3-methylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide
CID 2892979
1-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]-3-phenylthiourea
CID 3303473
ethyl 2-chloro-4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoate
CID 99952962

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]benzoic acid?
The IUPAC name of 2-chloro-5-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]benzoic acid (CID 10406316) is 2-chloro-5-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]benzoic acid.
What is the SMILES notation for 2-chloro-5-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]benzoic acid?
The canonical SMILES for 2-chloro-5-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]benzoic acid is Cc1cc(OCC(=O)Nc2ccc(Cl)c(C(=O)O)c2)ccc1C(C)C.
What is the InChIKey of 2-chloro-5-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]benzoic acid?
The InChIKey is MSHHWXRFNXQDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-11(2)15-6-5-14(8-12(15)3)25-10-18(22)21-13-4-7-17(20)16(9-13)19(23)24/h4-9,11H,10H2,1-3H3,(H,21,22)(H,23,24).
What are the key properties of 2-chloro-5-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]benzoic acid?
2-chloro-5-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]benzoic acid has a molecular weight of 361.83 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]benzoic acid is sourced from PubChem (CID 10406316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).