N-(2-fluorophenyl)-4-methyl-3-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide

C19H18FN3O4 — CID 4134618

IUPACN-(2-fluorophenyl)-4-methyl-3-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCc1ccc(C(=O)N(CN2CCCC2=O)c2ccccc2F)cc1[N+](=O)[O-]
InChIInChI=1S/C19H18FN3O4/c1-13-8-9-14(11-17(13)23(26)27)19(25)22(12-21-10-4-7-18(21)24)16-6-3-2-5-15(16)20/h2-3,5-6,8-9,11H,4,7,10,12H2,1H3
InChIKeyKVSPFVFHNFVPKB-UHFFFAOYSA-N
MW371.37 g/mol
LogP3.27
Rot. Bonds5

About N-(2-fluorophenyl)-4-methyl-3-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide

N-(2-fluorophenyl)-4-methyl-3-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 4134618) has the molecular formula C19H18FN3O4 and a molecular weight of 371.37 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-methyl-3-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-methyl-3-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID4134618
Molecular FormulaC19H18FN3O4
Molecular Weight371.37 g/mol
Exact Mass371.13
IUPAC NameN-(2-fluorophenyl)-4-methyl-3-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCc1ccc(C(=O)N(CN2CCCC2=O)c2ccccc2F)cc1[N+](=O)[O-]
InChIInChI=1S/C19H18FN3O4/c1-13-8-9-14(11-17(13)23(26)27)19(25)22(12-21-10-4-7-18(21)24)16-6-3-2-5-15(16)20/h2-3,5-6,8-9,11H,4,7,10,12H2,1H3
InChIKeyKVSPFVFHNFVPKB-UHFFFAOYSA-N
XLogP3.27
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 53.27
H-Bond Donors ≤ 50
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

4-ethoxy-N-(2-fluorophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4673123
N-(4-fluorophenyl)-3,4-dimethyl-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 3244651
4-chloro-N-(3-chlorophenyl)-3-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 3576394
4-chloro-3-nitro-N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4098524
N-(3-chloro-4-methylphenyl)-4-fluoro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4099523
N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-4-(trifluoromethyl)benzamide
CID 4082079
3,4-dimethoxy-N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 4256667
N-(2-methoxyphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 5055825
4-[(4-nitrobenzoyl)-[(2-oxopyrrolidin-1-yl)methyl]amino]benzamide
CID 3429807
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone
CID 8925286
4-[(4-methyl-3-nitrophenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 25342302
N-(4-nitrophenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]-2-phenylacetamide
CID 5051528

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-methyl-3-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-(2-fluorophenyl)-4-methyl-3-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 4134618) is N-(2-fluorophenyl)-4-methyl-3-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-methyl-3-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(2-fluorophenyl)-4-methyl-3-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide is Cc1ccc(C(=O)N(CN2CCCC2=O)c2ccccc2F)cc1[N+](=O)[O-].
What is the InChIKey of N-(2-fluorophenyl)-4-methyl-3-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is KVSPFVFHNFVPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O4/c1-13-8-9-14(11-17(13)23(26)27)19(25)22(12-21-10-4-7-18(21)24)16-6-3-2-5-15(16)20/h2-3,5-6,8-9,11H,4,7,10,12H2,1H3.
What are the key properties of N-(2-fluorophenyl)-4-methyl-3-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-(2-fluorophenyl)-4-methyl-3-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 371.37 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-methyl-3-nitro-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 4134618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).