4-[(dimethylamino)methyl]-3-[(3-fluoro-5-nitrobenzoyl)amino]benzamide

C17H17FN4O4 — CID 167839946

IUPAC4-[(dimethylamino)methyl]-3-[(3-fluoro-5-nitrobenzoyl)amino]benzamide
SMILESCN(C)Cc1ccc(C(N)=O)cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C17H17FN4O4/c1-21(2)9-11-4-3-10(16(19)23)7-15(11)20-17(24)12-5-13(18)8-14(6-12)22(25)26/h3-8H,9H2,1-2H3,(H2,19,23)(H,20,24)
InChIKeyUSGUMMBGFCPCQG-UHFFFAOYSA-N
MW360.35 g/mol
LogP2.15
Rot. Bonds6

About 4-[(dimethylamino)methyl]-3-[(3-fluoro-5-nitrobenzoyl)amino]benzamide

4-[(dimethylamino)methyl]-3-[(3-fluoro-5-nitrobenzoyl)amino]benzamide (PubChem CID 167839946) has the molecular formula C17H17FN4O4 and a molecular weight of 360.35 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-3-[(3-fluoro-5-nitrobenzoyl)amino]benzamide.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-3-[(3-fluoro-5-nitrobenzoyl)amino]benzamide
PubChem CID167839946
Molecular FormulaC17H17FN4O4
Molecular Weight360.35 g/mol
Exact Mass360.12
IUPAC Name4-[(dimethylamino)methyl]-3-[(3-fluoro-5-nitrobenzoyl)amino]benzamide
SMILESCN(C)Cc1ccc(C(N)=O)cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C17H17FN4O4/c1-21(2)9-11-4-3-10(16(19)23)7-15(11)20-17(24)12-5-13(18)8-14(6-12)22(25)26/h3-8H,9H2,1-2H3,(H2,19,23)(H,20,24)
InChIKeyUSGUMMBGFCPCQG-UHFFFAOYSA-N
XLogP2.15
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-[(2,4-difluorophenyl)methylamino]-4-[(dimethylamino)methyl]benzamide
CID 71967989
N-[5-carbamoyl-2-[(dimethylamino)methyl]phenyl]-2,4-dioxo-1H-quinazoline-6-carboxamide
CID 166371018
N-(6-chloro-2-methyl-3-pyridinyl)-3-fluoro-5-nitrobenzamide
CID 107301004
3-fluoro-N-[3-(hydroxymethyl)phenyl]-5-nitrobenzamide
CID 78953369
N-(2-bromo-3-chlorophenyl)-3-fluoro-5-nitrobenzamide
CID 103479948
4-[(dimethylamino)methyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 56806765
1-N,3-N-bis(2-fluorophenyl)-5-nitrobenzene-1,3-dicarboxamide
CID 2873591
3,5-dinitro-N-(2,3,4-trifluorophenyl)benzamide
CID 9095279
4-[(dimethylamino)methyl]-3-methylbenzamide
CID 130557552
N-(4-cyanophenyl)-3-fluoro-5-nitrobenzamide
CID 78953284
ethyl 2-[(3-fluoro-5-nitrobenzoyl)amino]acetate
CID 78953187
ethyl 3-[(2,5-difluorophenyl)carbamoyl]-5-nitrobenzoate
CID 26360798

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-3-[(3-fluoro-5-nitrobenzoyl)amino]benzamide?
The IUPAC name of 4-[(dimethylamino)methyl]-3-[(3-fluoro-5-nitrobenzoyl)amino]benzamide (CID 167839946) is 4-[(dimethylamino)methyl]-3-[(3-fluoro-5-nitrobenzoyl)amino]benzamide.
What is the SMILES notation for 4-[(dimethylamino)methyl]-3-[(3-fluoro-5-nitrobenzoyl)amino]benzamide?
The canonical SMILES for 4-[(dimethylamino)methyl]-3-[(3-fluoro-5-nitrobenzoyl)amino]benzamide is CN(C)Cc1ccc(C(N)=O)cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1.
What is the InChIKey of 4-[(dimethylamino)methyl]-3-[(3-fluoro-5-nitrobenzoyl)amino]benzamide?
The InChIKey is USGUMMBGFCPCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O4/c1-21(2)9-11-4-3-10(16(19)23)7-15(11)20-17(24)12-5-13(18)8-14(6-12)22(25)26/h3-8H,9H2,1-2H3,(H2,19,23)(H,20,24).
What are the key properties of 4-[(dimethylamino)methyl]-3-[(3-fluoro-5-nitrobenzoyl)amino]benzamide?
4-[(dimethylamino)methyl]-3-[(3-fluoro-5-nitrobenzoyl)amino]benzamide has a molecular weight of 360.35 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-3-[(3-fluoro-5-nitrobenzoyl)amino]benzamide is sourced from PubChem (CID 167839946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).