1-(2-chlorophenyl)-3-(4H-furo[3,2-b]pyrrole-5-carbonylamino)urea

C14H11ClN4O3 — CID 46260719

IUPAC1-(2-chlorophenyl)-3-(4H-furo[3,2-b]pyrrole-5-carbonylamino)urea
SMILESO=C(NNC(=O)c1cc2occc2[nH]1)Nc1ccccc1Cl
InChIInChI=1S/C14H11ClN4O3/c15-8-3-1-2-4-9(8)17-14(21)19-18-13(20)11-7-12-10(16-11)5-6-22-12/h1-7,16H,(H,18,20)(H2,17,19,21)
InChIKeyDEUFJXHOKWMDNS-UHFFFAOYSA-N
MW318.72 g/mol
LogP2.88
Rot. Bonds2

About 1-(2-chlorophenyl)-3-(4H-furo[3,2-b]pyrrole-5-carbonylamino)urea

1-(2-chlorophenyl)-3-(4H-furo[3,2-b]pyrrole-5-carbonylamino)urea (PubChem CID 46260719) has the molecular formula C14H11ClN4O3 and a molecular weight of 318.72 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(4H-furo[3,2-b]pyrrole-5-carbonylamino)urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(4H-furo[3,2-b]pyrrole-5-carbonylamino)urea
PubChem CID46260719
Molecular FormulaC14H11ClN4O3
Molecular Weight318.72 g/mol
Exact Mass318.05
IUPAC Name1-(2-chlorophenyl)-3-(4H-furo[3,2-b]pyrrole-5-carbonylamino)urea
SMILESO=C(NNC(=O)c1cc2occc2[nH]1)Nc1ccccc1Cl
InChIInChI=1S/C14H11ClN4O3/c15-8-3-1-2-4-9(8)17-14(21)19-18-13(20)11-7-12-10(16-11)5-6-22-12/h1-7,16H,(H,18,20)(H2,17,19,21)
InChIKeyDEUFJXHOKWMDNS-UHFFFAOYSA-N
XLogP2.88
TPSA99.16 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.72
LogP ≤ 52.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chlorophenyl)carbamoyl]furan-2-carboxamide
CID 110866393
N-(2-chlorophenyl)-4,6-dimethyl-1H-indole-2-carboxamide
CID 2742882
1-(2-chlorophenyl)-3-[(4-methoxybenzoyl)amino]urea
CID 4825619
5-bromo-2-[(2-chlorophenyl)carbamoylamino]benzoic acid
CID 62074134
1-(2-chlorophenyl)-3-[(4-nitrobenzoyl)amino]urea
CID 4850582
4-(3-bromopropoxy)-N-(2-chlorophenyl)-1H-indole-2-carboxamide
CID 46934621
1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
CID 5174981
1-(4-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea
CID 43544026
N-(2-chlorophenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 110600652
1-(5-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea
CID 43551327
2-[(2-chlorophenyl)carbamoylamino]-5-hydroxybenzoic acid
CID 61405952
1-(3-bromophenyl)-3-(2-chlorophenyl)urea
CID 43398005

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(4H-furo[3,2-b]pyrrole-5-carbonylamino)urea?
The IUPAC name of 1-(2-chlorophenyl)-3-(4H-furo[3,2-b]pyrrole-5-carbonylamino)urea (CID 46260719) is 1-(2-chlorophenyl)-3-(4H-furo[3,2-b]pyrrole-5-carbonylamino)urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(4H-furo[3,2-b]pyrrole-5-carbonylamino)urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-(4H-furo[3,2-b]pyrrole-5-carbonylamino)urea is O=C(NNC(=O)c1cc2occc2[nH]1)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-(4H-furo[3,2-b]pyrrole-5-carbonylamino)urea?
The InChIKey is DEUFJXHOKWMDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O3/c15-8-3-1-2-4-9(8)17-14(21)19-18-13(20)11-7-12-10(16-11)5-6-22-12/h1-7,16H,(H,18,20)(H2,17,19,21).
What are the key properties of 1-(2-chlorophenyl)-3-(4H-furo[3,2-b]pyrrole-5-carbonylamino)urea?
1-(2-chlorophenyl)-3-(4H-furo[3,2-b]pyrrole-5-carbonylamino)urea has a molecular weight of 318.72 g/mol, XLogP of 2.88, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(4H-furo[3,2-b]pyrrole-5-carbonylamino)urea is sourced from PubChem (CID 46260719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).