N-(4-fluoro-3-nitrophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide

C16H14F2N4O4 — CID 24635076

IUPACN-(4-fluoro-3-nitrophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
SMILESO=C(CNC(=O)NCc1ccc(F)cc1)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C16H14F2N4O4/c17-11-3-1-10(2-4-11)8-19-16(24)20-9-15(23)21-12-5-6-13(18)14(7-12)22(25)26/h1-7H,8-9H2,(H,21,23)(H2,19,20,24)
InChIKeyWAEORUIMSMKABQ-UHFFFAOYSA-N
MW364.31 g/mol
LogP2.31
Rot. Bonds6

About N-(4-fluoro-3-nitrophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide

N-(4-fluoro-3-nitrophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide (PubChem CID 24635076) has the molecular formula C16H14F2N4O4 and a molecular weight of 364.31 g/mol. Its IUPAC name is N-(4-fluoro-3-nitrophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide.

Molecular Properties

Compound NameN-(4-fluoro-3-nitrophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
PubChem CID24635076
Molecular FormulaC16H14F2N4O4
Molecular Weight364.31 g/mol
Exact Mass364.10
IUPAC NameN-(4-fluoro-3-nitrophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
SMILESO=C(CNC(=O)NCc1ccc(F)cc1)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C16H14F2N4O4/c17-11-3-1-10(2-4-11)8-19-16(24)20-9-15(23)21-12-5-6-13(18)14(7-12)22(25)26/h1-7H,8-9H2,(H,21,23)(H2,19,20,24)
InChIKeyWAEORUIMSMKABQ-UHFFFAOYSA-N
XLogP2.31
TPSA113.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 52.31
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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Related Compounds

N-(4-fluoro-3-nitrophenyl)-2-(4-fluorophenyl)acetamide
CID 797948
2-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 9212200
N-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 24605652
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-sulfamoylphenyl)acetamide
CID 18276908
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 51310778
N,N'-bis(4-fluoro-3-nitrophenyl)pentanediamide
CID 4303961
2-[4-[[2-[(4-fluorophenyl)methylcarbamoylamino]acetyl]amino]phenyl]-N-methylacetamide
CID 86923315
(4-fluoro-3-nitrophenyl)carbamic acid
CID 22238368
2-chloro-N-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]benzamide
CID 7973820
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 26022207
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 24605074
2-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 40715000

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-nitrophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide?
The IUPAC name of N-(4-fluoro-3-nitrophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide (CID 24635076) is N-(4-fluoro-3-nitrophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide.
What is the SMILES notation for N-(4-fluoro-3-nitrophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide?
The canonical SMILES for N-(4-fluoro-3-nitrophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide is O=C(CNC(=O)NCc1ccc(F)cc1)Nc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-fluoro-3-nitrophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide?
The InChIKey is WAEORUIMSMKABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O4/c17-11-3-1-10(2-4-11)8-19-16(24)20-9-15(23)21-12-5-6-13(18)14(7-12)22(25)26/h1-7H,8-9H2,(H,21,23)(H2,19,20,24).
What are the key properties of N-(4-fluoro-3-nitrophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide?
N-(4-fluoro-3-nitrophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide has a molecular weight of 364.31 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-nitrophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide is sourced from PubChem (CID 24635076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).