2-[3-[(2,4-dimethylbenzoyl)amino]phenyl]acetic acid

C17H17NO3 — CID 65346128

IUPAC2-[3-[(2,4-dimethylbenzoyl)amino]phenyl]acetic acid
SMILESCc1ccc(C(=O)Nc2cccc(CC(=O)O)c2)c(C)c1
InChIInChI=1S/C17H17NO3/c1-11-6-7-15(12(2)8-11)17(21)18-14-5-3-4-13(9-14)10-16(19)20/h3-9H,10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyJOHGHGAVKWBSQC-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.18
Rot. Bonds4

About 2-[3-[(2,4-dimethylbenzoyl)amino]phenyl]acetic acid

2-[3-[(2,4-dimethylbenzoyl)amino]phenyl]acetic acid (PubChem CID 65346128) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[3-[(2,4-dimethylbenzoyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(2,4-dimethylbenzoyl)amino]phenyl]acetic acid
PubChem CID65346128
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name2-[3-[(2,4-dimethylbenzoyl)amino]phenyl]acetic acid
SMILESCc1ccc(C(=O)Nc2cccc(CC(=O)O)c2)c(C)c1
InChIInChI=1S/C17H17NO3/c1-11-6-7-15(12(2)8-11)17(21)18-14-5-3-4-13(9-14)10-16(19)20/h3-9H,10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyJOHGHGAVKWBSQC-UHFFFAOYSA-N
XLogP3.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]phenyl]acetic acid
CID 115736177
2-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]acetic acid
CID 65345833
2,4-dimethyl-N-(3-methylsulfonylphenyl)benzamide
CID 27334640
2-[3-(4-methylanilino)phenyl]acetic acid
CID 155290701
2-[5-[(2,4-dimethylbenzoyl)amino]-2-pyridinyl]acetic acid
CID 107338774
2-[3-[(4-fluoro-2-iodobenzoyl)amino]phenyl]acetic acid
CID 103803781
N-(3,5-dimethylphenyl)-2,4-dimethylbenzamide
CID 925377
2-[3-(methoxycarbonylamino)phenyl]acetic acid
CID 21387794
2-[3-[(5-bromo-2-hydroxybenzoyl)amino]phenyl]acetic acid
CID 107729404
2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]acetic acid
CID 81456260
2,4-dimethyl-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38032669
2-[3-[(4-methyl-5-phenylthiophene-2-carbonyl)amino]phenyl]acetic acid
CID 59654667

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2,4-dimethylbenzoyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[(2,4-dimethylbenzoyl)amino]phenyl]acetic acid (CID 65346128) is 2-[3-[(2,4-dimethylbenzoyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(2,4-dimethylbenzoyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(2,4-dimethylbenzoyl)amino]phenyl]acetic acid is Cc1ccc(C(=O)Nc2cccc(CC(=O)O)c2)c(C)c1.
What is the InChIKey of 2-[3-[(2,4-dimethylbenzoyl)amino]phenyl]acetic acid?
The InChIKey is JOHGHGAVKWBSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-11-6-7-15(12(2)8-11)17(21)18-14-5-3-4-13(9-14)10-16(19)20/h3-9H,10H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 2-[3-[(2,4-dimethylbenzoyl)amino]phenyl]acetic acid?
2-[3-[(2,4-dimethylbenzoyl)amino]phenyl]acetic acid has a molecular weight of 283.33 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2,4-dimethylbenzoyl)amino]phenyl]acetic acid is sourced from PubChem (CID 65346128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).