2-[4-(phenylcarbamoylamino)phenyl]acetic acid

C15H14N2O3 — CID 564698

IUPAC2-[4-(phenylcarbamoylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C15H14N2O3/c18-14(19)10-11-6-8-13(9-7-11)17-15(20)16-12-4-2-1-3-5-12/h1-9H,10H2,(H,18,19)(H2,16,17,20)
InChIKeyRUSLWOBOKXLMRG-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.96
Rot. Bonds4

About 2-[4-(phenylcarbamoylamino)phenyl]acetic acid

2-[4-(phenylcarbamoylamino)phenyl]acetic acid (PubChem CID 564698) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-[4-(phenylcarbamoylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(phenylcarbamoylamino)phenyl]acetic acid
PubChem CID564698
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name2-[4-(phenylcarbamoylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C15H14N2O3/c18-14(19)10-11-6-8-13(9-7-11)17-15(20)16-12-4-2-1-3-5-12/h1-9H,10H2,(H,18,19)(H2,16,17,20)
InChIKeyRUSLWOBOKXLMRG-UHFFFAOYSA-N
XLogP2.96
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 47248811
4-[[4-(carboxymethyl)phenyl]carbamoylamino]benzoic acid
CID 127562090
2-[4-[(2-iodophenyl)carbamoylamino]phenyl]acetic acid
CID 61185205
2-[4-[(4-pyrrol-1-ylphenyl)carbamoylamino]phenyl]acetic acid
CID 108886748
2-[4-[(4-cyanophenyl)carbamoylamino]phenyl]acetic acid
CID 16784091
1-[4-(chloromethyl)phenyl]-3-phenylurea
CID 15895595
1-[4-[2-oxo-2-[4-(2-oxo-3-phenylpropyl)phenyl]ethyl]phenyl]-3-phenylurea
CID 58506375
2-[3-[(4-iodophenyl)carbamoylamino]phenyl]acetic acid
CID 65345675
benzyl-bis[[4-(phenylcarbamoylamino)phenyl]methyl]azanium chloride
CID 118062709
2-[4-(2-methylpropylcarbamoylamino)phenyl]acetic acid
CID 61188287
2-[4-(2-methylprop-1-enylcarbamoylamino)phenyl]acetic acid
CID 108909914
2-[4-[(1-methylpyrazol-4-yl)carbamoylamino]phenyl]acetic acid
CID 61199619

Frequently Asked Questions

What is the IUPAC name of 2-[4-(phenylcarbamoylamino)phenyl]acetic acid?
The IUPAC name of 2-[4-(phenylcarbamoylamino)phenyl]acetic acid (CID 564698) is 2-[4-(phenylcarbamoylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(phenylcarbamoylamino)phenyl]acetic acid?
The canonical SMILES for 2-[4-(phenylcarbamoylamino)phenyl]acetic acid is O=C(O)Cc1ccc(NC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-[4-(phenylcarbamoylamino)phenyl]acetic acid?
The InChIKey is RUSLWOBOKXLMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-14(19)10-11-6-8-13(9-7-11)17-15(20)16-12-4-2-1-3-5-12/h1-9H,10H2,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[4-(phenylcarbamoylamino)phenyl]acetic acid?
2-[4-(phenylcarbamoylamino)phenyl]acetic acid has a molecular weight of 270.29 g/mol, XLogP of 2.96, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(phenylcarbamoylamino)phenyl]acetic acid is sourced from PubChem (CID 564698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).