4-[[(3,4-dimethylbenzoyl)amino]methyl]benzoic acid

C17H17NO3 — CID 17171885

IUPAC4-[[(3,4-dimethylbenzoyl)amino]methyl]benzoic acid
SMILESCc1ccc(C(=O)NCc2ccc(C(=O)O)cc2)cc1C
InChIInChI=1S/C17H17NO3/c1-11-3-6-15(9-12(11)2)16(19)18-10-13-4-7-14(8-5-13)17(20)21/h3-9H,10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyKEDZXDRIQQCSNS-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.93
Rot. Bonds4

About 4-[[(3,4-dimethylbenzoyl)amino]methyl]benzoic acid

4-[[(3,4-dimethylbenzoyl)amino]methyl]benzoic acid (PubChem CID 17171885) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-[[(3,4-dimethylbenzoyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[(3,4-dimethylbenzoyl)amino]methyl]benzoic acid
PubChem CID17171885
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name4-[[(3,4-dimethylbenzoyl)amino]methyl]benzoic acid
SMILESCc1ccc(C(=O)NCc2ccc(C(=O)O)cc2)cc1C
InChIInChI=1S/C17H17NO3/c1-11-3-6-15(9-12(11)2)16(19)18-10-13-4-7-14(8-5-13)17(20)21/h3-9H,10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyKEDZXDRIQQCSNS-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3,4-dimethylbenzoyl)amino]methyl]benzoic acid?
The IUPAC name of 4-[[(3,4-dimethylbenzoyl)amino]methyl]benzoic acid (CID 17171885) is 4-[[(3,4-dimethylbenzoyl)amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[(3,4-dimethylbenzoyl)amino]methyl]benzoic acid?
The canonical SMILES for 4-[[(3,4-dimethylbenzoyl)amino]methyl]benzoic acid is Cc1ccc(C(=O)NCc2ccc(C(=O)O)cc2)cc1C.
What is the InChIKey of 4-[[(3,4-dimethylbenzoyl)amino]methyl]benzoic acid?
The InChIKey is KEDZXDRIQQCSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-11-3-6-15(9-12(11)2)16(19)18-10-13-4-7-14(8-5-13)17(20)21/h3-9H,10H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 4-[[(3,4-dimethylbenzoyl)amino]methyl]benzoic acid?
4-[[(3,4-dimethylbenzoyl)amino]methyl]benzoic acid has a molecular weight of 283.33 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3,4-dimethylbenzoyl)amino]methyl]benzoic acid is sourced from PubChem (CID 17171885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).