2-[2-[(2-carbamoylanilino)methyl]phenyl]acetic acid

C16H16N2O3 — CID 81313237

IUPAC2-[2-[(2-carbamoylanilino)methyl]phenyl]acetic acid
SMILESNC(=O)c1ccccc1NCc1ccccc1CC(=O)O
InChIInChI=1S/C16H16N2O3/c17-16(21)13-7-3-4-8-14(13)18-10-12-6-2-1-5-11(12)9-15(19)20/h1-8,18H,9-10H2,(H2,17,21)(H,19,20)
InChIKeyWGJYUTDUXFVAAJ-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.02
Rot. Bonds6

About 2-[2-[(2-carbamoylanilino)methyl]phenyl]acetic acid

2-[2-[(2-carbamoylanilino)methyl]phenyl]acetic acid (PubChem CID 81313237) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[2-[(2-carbamoylanilino)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-carbamoylanilino)methyl]phenyl]acetic acid
PubChem CID81313237
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name2-[2-[(2-carbamoylanilino)methyl]phenyl]acetic acid
SMILESNC(=O)c1ccccc1NCc1ccccc1CC(=O)O
InChIInChI=1S/C16H16N2O3/c17-16(21)13-7-3-4-8-14(13)18-10-12-6-2-1-5-11(12)9-15(19)20/h1-8,18H,9-10H2,(H2,17,21)(H,19,20)
InChIKeyWGJYUTDUXFVAAJ-UHFFFAOYSA-N
XLogP2.02
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[(3-carbamoyl-2-pyridinyl)amino]methyl]phenyl]acetic acid
CID 81313236
2-[2-[(2,3-dichloroanilino)methyl]phenyl]acetic acid
CID 115461544
2-[2-[(2-cyanoanilino)methyl]phenyl]acetic acid
CID 81317628
2-[2-[(2-chloroanilino)methyl]phenyl]acetamide
CID 21235296
2-[(2-bromophenyl)methylamino]benzoic acid
CID 43139537
2-[(2,3-dichloroanilino)methyl]benzamide
CID 28774931
2-[2-[(3-chloro-2-fluoroanilino)methyl]phenyl]acetic acid
CID 115461558
2-(cyanomethylamino)benzamide
CID 3086271
2-(thiophen-2-ylmethylamino)benzamide
CID 83291253
2-[4-[(2-carbamoylanilino)methyl]triazol-1-yl]acetic acid
CID 115457975
2-[(5-amino-2-methoxyphenyl)methylamino]benzamide
CID 61015082
2-(chloroamino)benzamide
CID 54562633

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-carbamoylanilino)methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[(2-carbamoylanilino)methyl]phenyl]acetic acid (CID 81313237) is 2-[2-[(2-carbamoylanilino)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(2-carbamoylanilino)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(2-carbamoylanilino)methyl]phenyl]acetic acid is NC(=O)c1ccccc1NCc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-[(2-carbamoylanilino)methyl]phenyl]acetic acid?
The InChIKey is WGJYUTDUXFVAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c17-16(21)13-7-3-4-8-14(13)18-10-12-6-2-1-5-11(12)9-15(19)20/h1-8,18H,9-10H2,(H2,17,21)(H,19,20).
What are the key properties of 2-[2-[(2-carbamoylanilino)methyl]phenyl]acetic acid?
2-[2-[(2-carbamoylanilino)methyl]phenyl]acetic acid has a molecular weight of 284.32 g/mol, XLogP of 2.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-carbamoylanilino)methyl]phenyl]acetic acid is sourced from PubChem (CID 81313237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).