3-[(N-carbamoylanilino)methyl]benzoic acid

C15H14N2O3 — CID 67799196

IUPAC3-[(N-carbamoylanilino)methyl]benzoic acid
SMILESNC(=O)N(Cc1cccc(C(=O)O)c1)c1ccccc1
InChIInChI=1S/C15H14N2O3/c16-15(20)17(13-7-2-1-3-8-13)10-11-5-4-6-12(9-11)14(18)19/h1-9H,10H2,(H2,16,20)(H,18,19)
InChIKeyVZVGRZPOOGFJTQ-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.47
Rot. Bonds4

About 3-[(N-carbamoylanilino)methyl]benzoic acid

3-[(N-carbamoylanilino)methyl]benzoic acid (PubChem CID 67799196) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-[(N-carbamoylanilino)methyl]benzoic acid.

Molecular Properties

Compound Name3-[(N-carbamoylanilino)methyl]benzoic acid
PubChem CID67799196
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name3-[(N-carbamoylanilino)methyl]benzoic acid
SMILESNC(=O)N(Cc1cccc(C(=O)O)c1)c1ccccc1
InChIInChI=1S/C15H14N2O3/c16-15(20)17(13-7-2-1-3-8-13)10-11-5-4-6-12(9-11)14(18)19/h1-9H,10H2,(H2,16,20)(H,18,19)
InChIKeyVZVGRZPOOGFJTQ-UHFFFAOYSA-N
XLogP2.47
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-[[[3-[[[3-[[[3-[[[3-[[[3-[[benzoyl(ethyl)amino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoyl]-ethylamino]methyl]benzoic acid
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3-[[methyl(propyl)amino]methyl]benzoic acid
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3-[[2-(dimethylamino)ethyl-methylamino]methyl]benzoic acid
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3-[(4-bromo-N-methylanilino)methyl]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-[(N-carbamoylanilino)methyl]benzoic acid?
The IUPAC name of 3-[(N-carbamoylanilino)methyl]benzoic acid (CID 67799196) is 3-[(N-carbamoylanilino)methyl]benzoic acid.
What is the SMILES notation for 3-[(N-carbamoylanilino)methyl]benzoic acid?
The canonical SMILES for 3-[(N-carbamoylanilino)methyl]benzoic acid is NC(=O)N(Cc1cccc(C(=O)O)c1)c1ccccc1.
What is the InChIKey of 3-[(N-carbamoylanilino)methyl]benzoic acid?
The InChIKey is VZVGRZPOOGFJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c16-15(20)17(13-7-2-1-3-8-13)10-11-5-4-6-12(9-11)14(18)19/h1-9H,10H2,(H2,16,20)(H,18,19).
What are the key properties of 3-[(N-carbamoylanilino)methyl]benzoic acid?
3-[(N-carbamoylanilino)methyl]benzoic acid has a molecular weight of 270.29 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(N-carbamoylanilino)methyl]benzoic acid is sourced from PubChem (CID 67799196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).