2-[4-[(4-cyanophenyl)carbamoylamino]phenyl]acetic acid

C16H13N3O3 — CID 16784091

IUPAC2-[4-[(4-cyanophenyl)carbamoylamino]phenyl]acetic acid
SMILESN#Cc1ccc(NC(=O)Nc2ccc(CC(=O)O)cc2)cc1
InChIInChI=1S/C16H13N3O3/c17-10-12-3-7-14(8-4-12)19-16(22)18-13-5-1-11(2-6-13)9-15(20)21/h1-8H,9H2,(H,20,21)(H2,18,19,22)
InChIKeyIFPDZUGPUJRHCZ-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.83
Rot. Bonds4

About 2-[4-[(4-cyanophenyl)carbamoylamino]phenyl]acetic acid

2-[4-[(4-cyanophenyl)carbamoylamino]phenyl]acetic acid (PubChem CID 16784091) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-[4-[(4-cyanophenyl)carbamoylamino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-cyanophenyl)carbamoylamino]phenyl]acetic acid
PubChem CID16784091
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name2-[4-[(4-cyanophenyl)carbamoylamino]phenyl]acetic acid
SMILESN#Cc1ccc(NC(=O)Nc2ccc(CC(=O)O)cc2)cc1
InChIInChI=1S/C16H13N3O3/c17-10-12-3-7-14(8-4-12)19-16(22)18-13-5-1-11(2-6-13)9-15(20)21/h1-8H,9H2,(H,20,21)(H2,18,19,22)
InChIKeyIFPDZUGPUJRHCZ-UHFFFAOYSA-N
XLogP2.83
TPSA102.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(phenylcarbamoylamino)phenyl]acetic acid
CID 564698
2-(4-cyanophenyl)-N-phenylacetamide
CID 12672919
4-[[4-(carboxymethyl)phenyl]carbamoylamino]benzoic acid
CID 127562090
1-(4-cyanophenyl)-3-(2-ethylphenyl)urea
CID 108991489
1-(4-cyanophenyl)-3-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)urea
CID 16662014
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
1-(4-cyanophenyl)-3-(4-nitrophenyl)urea
CID 43386590
2-[4-[(4-pyrrol-1-ylphenyl)carbamoylamino]phenyl]acetic acid
CID 108886748
N-(4-cyanophenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771370
6-[(4-cyanophenyl)carbamoylamino]hexanoic acid
CID 16788289
4-[(4-cyanophenyl)carbamoylamino]-4-methylpentanoic acid
CID 62043313
1-(4-chlorophenyl)-3-[2-(4-cyanophenyl)ethyl]urea
CID 155436717

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-cyanophenyl)carbamoylamino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(4-cyanophenyl)carbamoylamino]phenyl]acetic acid (CID 16784091) is 2-[4-[(4-cyanophenyl)carbamoylamino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(4-cyanophenyl)carbamoylamino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(4-cyanophenyl)carbamoylamino]phenyl]acetic acid is N#Cc1ccc(NC(=O)Nc2ccc(CC(=O)O)cc2)cc1.
What is the InChIKey of 2-[4-[(4-cyanophenyl)carbamoylamino]phenyl]acetic acid?
The InChIKey is IFPDZUGPUJRHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c17-10-12-3-7-14(8-4-12)19-16(22)18-13-5-1-11(2-6-13)9-15(20)21/h1-8H,9H2,(H,20,21)(H2,18,19,22).
What are the key properties of 2-[4-[(4-cyanophenyl)carbamoylamino]phenyl]acetic acid?
2-[4-[(4-cyanophenyl)carbamoylamino]phenyl]acetic acid has a molecular weight of 295.30 g/mol, XLogP of 2.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-cyanophenyl)carbamoylamino]phenyl]acetic acid is sourced from PubChem (CID 16784091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).