2-[2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]phenyl]acetic acid

C20H22ClNO5 — CID 119218308

IUPAC2-[2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]phenyl]acetic acid
SMILESCOc1cc(C(=O)Nc2ccccc2CC(=O)O)cc(Cl)c1OCC(C)C
InChIInChI=1S/C20H22ClNO5/c1-12(2)11-27-19-15(21)8-14(9-17(19)26-3)20(25)22-16-7-5-4-6-13(16)10-18(23)24/h4-9,12H,10-11H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyQPXMWIOZSHIEHN-UHFFFAOYSA-N
MW391.85 g/mol
LogP4.26
Rot. Bonds8

About 2-[2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]phenyl]acetic acid

2-[2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]phenyl]acetic acid (PubChem CID 119218308) has the molecular formula C20H22ClNO5 and a molecular weight of 391.85 g/mol. Its IUPAC name is 2-[2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]phenyl]acetic acid
PubChem CID119218308
Molecular FormulaC20H22ClNO5
Molecular Weight391.85 g/mol
Exact Mass391.12
IUPAC Name2-[2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]phenyl]acetic acid
SMILESCOc1cc(C(=O)Nc2ccccc2CC(=O)O)cc(Cl)c1OCC(C)C
InChIInChI=1S/C20H22ClNO5/c1-12(2)11-27-19-15(21)8-14(9-17(19)26-3)20(25)22-16-7-5-4-6-13(16)10-18(23)24/h4-9,12H,10-11H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyQPXMWIOZSHIEHN-UHFFFAOYSA-N
XLogP4.26
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.85
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-methoxy-N-(2-methylphenyl)-4-(2-methylpropoxy)benzamide
CID 2599000
3-chloro-5-methoxy-4-(2-methylpropoxy)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 35275877
3-chloro-5-methoxy-4-(3-methylbutoxy)-N-(2-methylphenyl)benzamide
CID 27167034
3-chloro-N'-(2-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide
CID 26799191
3-chloro-4-ethoxy-5-methoxy-N-(2-methylphenyl)benzamide
CID 3944702
5-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]pentanoic acid
CID 119234484
3-chloro-4,5-diethoxy-N-(2-ethylphenyl)benzamide
CID 5217703
2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]acetate
CID 7994307
N-(5-bromo-2-pyridinyl)-3-chloro-5-methoxy-4-(2-methylpropoxy)benzamide
CID 60522037
N-(2-bromophenyl)-3-chloro-4-ethoxy-5-methoxybenzamide
CID 3392529
3-chloro-N'-(4-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide
CID 55333896
3-chloro-5-methoxy-N-(2-methylphenyl)-4-propoxybenzamide
CID 4288200

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]phenyl]acetic acid (CID 119218308) is 2-[2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]phenyl]acetic acid is COc1cc(C(=O)Nc2ccccc2CC(=O)O)cc(Cl)c1OCC(C)C.
What is the InChIKey of 2-[2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]phenyl]acetic acid?
The InChIKey is QPXMWIOZSHIEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO5/c1-12(2)11-27-19-15(21)8-14(9-17(19)26-3)20(25)22-16-7-5-4-6-13(16)10-18(23)24/h4-9,12H,10-11H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 2-[2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]phenyl]acetic acid?
2-[2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]phenyl]acetic acid has a molecular weight of 391.85 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]phenyl]acetic acid is sourced from PubChem (CID 119218308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).