N-(5-amino-2-fluorophenyl)-2-[2-[(2-fluoro-5-nitrophenyl)carbamoyl]phenyl]benzamide

C26H18F2N4O4 — CID 67556047

IUPACN-(5-amino-2-fluorophenyl)-2-[2-[(2-fluoro-5-nitrophenyl)carbamoyl]phenyl]benzamide
SMILESNc1ccc(F)c(NC(=O)c2ccccc2-c2ccccc2C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1
InChIInChI=1S/C26H18F2N4O4/c27-21-11-9-15(29)13-23(21)30-25(33)19-7-3-1-5-17(19)18-6-2-4-8-20(18)26(34)31-24-14-16(32(35)36)10-12-22(24)28/h1-14H,29H2,(H,30,33)(H,31,34)
InChIKeyKDMRDBNYJWIGQK-UHFFFAOYSA-N
MW488.45 g/mol
LogP5.63
Rot. Bonds6

About N-(5-amino-2-fluorophenyl)-2-[2-[(2-fluoro-5-nitrophenyl)carbamoyl]phenyl]benzamide

N-(5-amino-2-fluorophenyl)-2-[2-[(2-fluoro-5-nitrophenyl)carbamoyl]phenyl]benzamide (PubChem CID 67556047) has the molecular formula C26H18F2N4O4 and a molecular weight of 488.45 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-[2-[(2-fluoro-5-nitrophenyl)carbamoyl]phenyl]benzamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-[2-[(2-fluoro-5-nitrophenyl)carbamoyl]phenyl]benzamide
PubChem CID67556047
Molecular FormulaC26H18F2N4O4
Molecular Weight488.45 g/mol
Exact Mass488.13
IUPAC NameN-(5-amino-2-fluorophenyl)-2-[2-[(2-fluoro-5-nitrophenyl)carbamoyl]phenyl]benzamide
SMILESNc1ccc(F)c(NC(=O)c2ccccc2-c2ccccc2C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1
InChIInChI=1S/C26H18F2N4O4/c27-21-11-9-15(29)13-23(21)30-25(33)19-7-3-1-5-17(19)18-6-2-4-8-20(18)26(34)31-24-14-16(32(35)36)10-12-22(24)28/h1-14H,29H2,(H,30,33)(H,31,34)
InChIKeyKDMRDBNYJWIGQK-UHFFFAOYSA-N
XLogP5.63
TPSA127.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.45
LogP ≤ 55.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-(2-fluoro-5-nitrophenyl)-3-methylbenzamide
CID 80710679
2-amino-N-(2-fluoro-5-nitrophenyl)-5-methylbenzamide
CID 62510366
N-(5-amino-2-fluorophenyl)-2-methyl-3-nitrobenzamide
CID 43600155
4-amino-N-(2-bromo-5-nitrophenyl)-2-fluorobenzamide
CID 107794756
4-amino-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide
CID 62155643
N-(5-amino-2-fluorophenyl)-4-fluoro-2-nitrobenzamide
CID 115736636
2-chloro-N-(2-fluoro-5-nitrophenyl)pyridine-3-carboxamide
CID 17102140
4-amino-N-(2-fluoro-5-nitrophenyl)-6-methylpyridine-3-carboxamide
CID 81238388
N-(2-fluoro-5-nitrophenyl)-5-nitro-2-phenoxybenzamide
CID 60528366
5-bromo-2-chloro-N-(2-fluoro-5-nitrophenyl)benzamide
CID 1338128
2-chloro-N-(2,5-difluorophenyl)-5-nitrobenzamide
CID 7770244
2,3-difluoro-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 103863233

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-[2-[(2-fluoro-5-nitrophenyl)carbamoyl]phenyl]benzamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-[2-[(2-fluoro-5-nitrophenyl)carbamoyl]phenyl]benzamide (CID 67556047) is N-(5-amino-2-fluorophenyl)-2-[2-[(2-fluoro-5-nitrophenyl)carbamoyl]phenyl]benzamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-[2-[(2-fluoro-5-nitrophenyl)carbamoyl]phenyl]benzamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-[2-[(2-fluoro-5-nitrophenyl)carbamoyl]phenyl]benzamide is Nc1ccc(F)c(NC(=O)c2ccccc2-c2ccccc2C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-[2-[(2-fluoro-5-nitrophenyl)carbamoyl]phenyl]benzamide?
The InChIKey is KDMRDBNYJWIGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F2N4O4/c27-21-11-9-15(29)13-23(21)30-25(33)19-7-3-1-5-17(19)18-6-2-4-8-20(18)26(34)31-24-14-16(32(35)36)10-12-22(24)28/h1-14H,29H2,(H,30,33)(H,31,34).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-[2-[(2-fluoro-5-nitrophenyl)carbamoyl]phenyl]benzamide?
N-(5-amino-2-fluorophenyl)-2-[2-[(2-fluoro-5-nitrophenyl)carbamoyl]phenyl]benzamide has a molecular weight of 488.45 g/mol, XLogP of 5.63, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-2-[2-[(2-fluoro-5-nitrophenyl)carbamoyl]phenyl]benzamide is sourced from PubChem (CID 67556047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).