2-[4-[(4-pyrrol-1-ylphenyl)carbamoylamino]phenyl]acetic acid

C19H17N3O3 — CID 108886748

IUPAC2-[4-[(4-pyrrol-1-ylphenyl)carbamoylamino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)Nc2ccc(-n3cccc3)cc2)cc1
InChIInChI=1S/C19H17N3O3/c23-18(24)13-14-3-5-15(6-4-14)20-19(25)21-16-7-9-17(10-8-16)22-11-1-2-12-22/h1-12H,13H2,(H,23,24)(H2,20,21,25)
InChIKeyBCHZXVOUAYCWGW-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.75
Rot. Bonds5

About 2-[4-[(4-pyrrol-1-ylphenyl)carbamoylamino]phenyl]acetic acid

2-[4-[(4-pyrrol-1-ylphenyl)carbamoylamino]phenyl]acetic acid (PubChem CID 108886748) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-[4-[(4-pyrrol-1-ylphenyl)carbamoylamino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-pyrrol-1-ylphenyl)carbamoylamino]phenyl]acetic acid
PubChem CID108886748
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name2-[4-[(4-pyrrol-1-ylphenyl)carbamoylamino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)Nc2ccc(-n3cccc3)cc2)cc1
InChIInChI=1S/C19H17N3O3/c23-18(24)13-14-3-5-15(6-4-14)20-19(25)21-16-7-9-17(10-8-16)22-11-1-2-12-22/h1-12H,13H2,(H,23,24)(H2,20,21,25)
InChIKeyBCHZXVOUAYCWGW-UHFFFAOYSA-N
XLogP3.75
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(phenylcarbamoylamino)phenyl]acetic acid
CID 564698
4-[[4-(carboxymethyl)phenyl]carbamoylamino]benzoic acid
CID 127562090
4-oxo-4-(4-pyrrol-1-ylanilino)butanoic acid
CID 110471076
2-[4-(2-methylprop-1-enylcarbamoylamino)phenyl]acetic acid
CID 108909914
1-[2-(4-fluorophenyl)ethyl]-3-(4-pyrrol-1-ylphenyl)urea
CID 108886865
6-[(4-pyrrol-1-ylphenyl)carbamoylamino]hexanoic acid
CID 108886670
N-methyl-2-(4-pyrrol-1-ylphenyl)acetamide
CID 47172440
2-[4-[(4-cyanophenyl)carbamoylamino]phenyl]acetic acid
CID 16784091
2-(4-pyrrol-1-ylphenyl)acetamide
CID 47168980
2-[4-[(2-iodophenyl)carbamoylamino]phenyl]acetic acid
CID 61185205
1-(4-pyrrol-1-ylphenyl)-3-[(4-sulfamoylphenyl)methyl]urea
CID 108886735
N-(3,5-dimethylphenyl)-2-(4-pyrrol-1-ylphenyl)acetamide
CID 3450934

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-pyrrol-1-ylphenyl)carbamoylamino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(4-pyrrol-1-ylphenyl)carbamoylamino]phenyl]acetic acid (CID 108886748) is 2-[4-[(4-pyrrol-1-ylphenyl)carbamoylamino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(4-pyrrol-1-ylphenyl)carbamoylamino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(4-pyrrol-1-ylphenyl)carbamoylamino]phenyl]acetic acid is O=C(O)Cc1ccc(NC(=O)Nc2ccc(-n3cccc3)cc2)cc1.
What is the InChIKey of 2-[4-[(4-pyrrol-1-ylphenyl)carbamoylamino]phenyl]acetic acid?
The InChIKey is BCHZXVOUAYCWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c23-18(24)13-14-3-5-15(6-4-14)20-19(25)21-16-7-9-17(10-8-16)22-11-1-2-12-22/h1-12H,13H2,(H,23,24)(H2,20,21,25).
What are the key properties of 2-[4-[(4-pyrrol-1-ylphenyl)carbamoylamino]phenyl]acetic acid?
2-[4-[(4-pyrrol-1-ylphenyl)carbamoylamino]phenyl]acetic acid has a molecular weight of 335.36 g/mol, XLogP of 3.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-pyrrol-1-ylphenyl)carbamoylamino]phenyl]acetic acid is sourced from PubChem (CID 108886748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).