[4-(2,4-difluorophenyl)-2-nitrophenyl]carbamic acid

C13H8F2N2O4 — CID 22224911

IUPAC[4-(2,4-difluorophenyl)-2-nitrophenyl]carbamic acid
SMILESO=C(O)Nc1ccc(-c2ccc(F)cc2F)cc1[N+](=O)[O-]
InChIInChI=1S/C13H8F2N2O4/c14-8-2-3-9(10(15)6-8)7-1-4-11(16-13(18)19)12(5-7)17(20)21/h1-6,16H,(H,18,19)
InChIKeyQZYRRZRISRLZAM-UHFFFAOYSA-N
MW294.21 g/mol
LogP3.63
Rot. Bonds3

About [4-(2,4-difluorophenyl)-2-nitrophenyl]carbamic acid

[4-(2,4-difluorophenyl)-2-nitrophenyl]carbamic acid (PubChem CID 22224911) has the molecular formula C13H8F2N2O4 and a molecular weight of 294.21 g/mol. Its IUPAC name is [4-(2,4-difluorophenyl)-2-nitrophenyl]carbamic acid.

Molecular Properties

Compound Name[4-(2,4-difluorophenyl)-2-nitrophenyl]carbamic acid
PubChem CID22224911
Molecular FormulaC13H8F2N2O4
Molecular Weight294.21 g/mol
Exact Mass294.05
IUPAC Name[4-(2,4-difluorophenyl)-2-nitrophenyl]carbamic acid
SMILESO=C(O)Nc1ccc(-c2ccc(F)cc2F)cc1[N+](=O)[O-]
InChIInChI=1S/C13H8F2N2O4/c14-8-2-3-9(10(15)6-8)7-1-4-11(16-13(18)19)12(5-7)17(20)21/h1-6,16H,(H,18,19)
InChIKeyQZYRRZRISRLZAM-UHFFFAOYSA-N
XLogP3.63
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.21
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

4-(2,4-difluorophenyl)-2-nitroaniline
CID 175739959
[5-chloro-4-(4-fluorophenyl)-2-nitrophenyl]carbamic acid
CID 22448711
(4-fluoro-2-nitrophenyl)urea
CID 69476086
(2,4-dinitrophenyl)carbamic acid
CID 154114547
4-(2,4-difluorophenyl)-2-[(4-nitrobenzoyl)amino]benzoic acid
CID 67342960
N-[3-(2,4-difluorophenyl)-5-[2-nitro-4-(1H-pyrrol-2-yl)anilino]phenyl]acetamide
CID 141436022
N-(4-fluoro-2-nitrophenyl)-4-hydroxybenzamide
CID 110483155
[2-amino-4-(2,5-difluorophenyl)phenyl]carbamic acid
CID 22224953
N-(4-fluoro-2-nitrophenyl)-2-(methylamino)propanamide
CID 55097088
[4-(4-fluorophenyl)-5-(2-methoxyethoxy)-2-nitrophenyl]carbamic acid
CID 22448763
(4-methylsulfonyl-2-nitrophenyl)carbamic acid
CID 155271572
(2-amino-4-fluorophenyl)carbamic acid
CID 22318019

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-difluorophenyl)-2-nitrophenyl]carbamic acid?
The IUPAC name of [4-(2,4-difluorophenyl)-2-nitrophenyl]carbamic acid (CID 22224911) is [4-(2,4-difluorophenyl)-2-nitrophenyl]carbamic acid.
What is the SMILES notation for [4-(2,4-difluorophenyl)-2-nitrophenyl]carbamic acid?
The canonical SMILES for [4-(2,4-difluorophenyl)-2-nitrophenyl]carbamic acid is O=C(O)Nc1ccc(-c2ccc(F)cc2F)cc1[N+](=O)[O-].
What is the InChIKey of [4-(2,4-difluorophenyl)-2-nitrophenyl]carbamic acid?
The InChIKey is QZYRRZRISRLZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O4/c14-8-2-3-9(10(15)6-8)7-1-4-11(16-13(18)19)12(5-7)17(20)21/h1-6,16H,(H,18,19).
What are the key properties of [4-(2,4-difluorophenyl)-2-nitrophenyl]carbamic acid?
[4-(2,4-difluorophenyl)-2-nitrophenyl]carbamic acid has a molecular weight of 294.21 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-difluorophenyl)-2-nitrophenyl]carbamic acid is sourced from PubChem (CID 22224911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).