1-(carbamoylamino)-1-(3-fluorophenyl)-3-(2-methyl-4-nitrophenyl)urea

C15H14FN5O4 — CID 67298451

IUPAC1-(carbamoylamino)-1-(3-fluorophenyl)-3-(2-methyl-4-nitrophenyl)urea
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)N(NC(N)=O)c1cccc(F)c1
InChIInChI=1S/C15H14FN5O4/c1-9-7-12(21(24)25)5-6-13(9)18-15(23)20(19-14(17)22)11-4-2-3-10(16)8-11/h2-8H,1H3,(H,18,23)(H3,17,19,22)
InChIKeyTZQNQGRWLGNRNB-UHFFFAOYSA-N
MW347.31 g/mol
LogP2.66
Rot. Bonds3

About 1-(carbamoylamino)-1-(3-fluorophenyl)-3-(2-methyl-4-nitrophenyl)urea

1-(carbamoylamino)-1-(3-fluorophenyl)-3-(2-methyl-4-nitrophenyl)urea (PubChem CID 67298451) has the molecular formula C15H14FN5O4 and a molecular weight of 347.31 g/mol. Its IUPAC name is 1-(carbamoylamino)-1-(3-fluorophenyl)-3-(2-methyl-4-nitrophenyl)urea.

Molecular Properties

Compound Name1-(carbamoylamino)-1-(3-fluorophenyl)-3-(2-methyl-4-nitrophenyl)urea
PubChem CID67298451
Molecular FormulaC15H14FN5O4
Molecular Weight347.31 g/mol
Exact Mass347.10
IUPAC Name1-(carbamoylamino)-1-(3-fluorophenyl)-3-(2-methyl-4-nitrophenyl)urea
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)N(NC(N)=O)c1cccc(F)c1
InChIInChI=1S/C15H14FN5O4/c1-9-7-12(21(24)25)5-6-13(9)18-15(23)20(19-14(17)22)11-4-2-3-10(16)8-11/h2-8H,1H3,(H,18,23)(H3,17,19,22)
InChIKeyTZQNQGRWLGNRNB-UHFFFAOYSA-N
XLogP2.66
TPSA130.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.31
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(carbamoylamino)-1-(3-fluorophenyl)-3-(2-methyl-4-nitrophenyl)urea?
The IUPAC name of 1-(carbamoylamino)-1-(3-fluorophenyl)-3-(2-methyl-4-nitrophenyl)urea (CID 67298451) is 1-(carbamoylamino)-1-(3-fluorophenyl)-3-(2-methyl-4-nitrophenyl)urea.
What is the SMILES notation for 1-(carbamoylamino)-1-(3-fluorophenyl)-3-(2-methyl-4-nitrophenyl)urea?
The canonical SMILES for 1-(carbamoylamino)-1-(3-fluorophenyl)-3-(2-methyl-4-nitrophenyl)urea is Cc1cc([N+](=O)[O-])ccc1NC(=O)N(NC(N)=O)c1cccc(F)c1.
What is the InChIKey of 1-(carbamoylamino)-1-(3-fluorophenyl)-3-(2-methyl-4-nitrophenyl)urea?
The InChIKey is TZQNQGRWLGNRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O4/c1-9-7-12(21(24)25)5-6-13(9)18-15(23)20(19-14(17)22)11-4-2-3-10(16)8-11/h2-8H,1H3,(H,18,23)(H3,17,19,22).
What are the key properties of 1-(carbamoylamino)-1-(3-fluorophenyl)-3-(2-methyl-4-nitrophenyl)urea?
1-(carbamoylamino)-1-(3-fluorophenyl)-3-(2-methyl-4-nitrophenyl)urea has a molecular weight of 347.31 g/mol, XLogP of 2.66, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(carbamoylamino)-1-(3-fluorophenyl)-3-(2-methyl-4-nitrophenyl)urea is sourced from PubChem (CID 67298451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).