N-(2-fluorophenyl)-2-[(2-morpholin-4-ylacetyl)amino]-5-nitrobenzamide

C19H19FN4O5 — CID 2943819

IUPACN-(2-fluorophenyl)-2-[(2-morpholin-4-ylacetyl)amino]-5-nitrobenzamide
SMILESO=C(CN1CCOCC1)Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1F
InChIInChI=1S/C19H19FN4O5/c20-15-3-1-2-4-17(15)22-19(26)14-11-13(24(27)28)5-6-16(14)21-18(25)12-23-7-9-29-10-8-23/h1-6,11H,7-10,12H2,(H,21,25)(H,22,26)
InChIKeyWEGIBENCHBHKKD-UHFFFAOYSA-N
MW402.38 g/mol
LogP2.26
Rot. Bonds6

About N-(2-fluorophenyl)-2-[(2-morpholin-4-ylacetyl)amino]-5-nitrobenzamide

N-(2-fluorophenyl)-2-[(2-morpholin-4-ylacetyl)amino]-5-nitrobenzamide (PubChem CID 2943819) has the molecular formula C19H19FN4O5 and a molecular weight of 402.38 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[(2-morpholin-4-ylacetyl)amino]-5-nitrobenzamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[(2-morpholin-4-ylacetyl)amino]-5-nitrobenzamide
PubChem CID2943819
Molecular FormulaC19H19FN4O5
Molecular Weight402.38 g/mol
Exact Mass402.13
IUPAC NameN-(2-fluorophenyl)-2-[(2-morpholin-4-ylacetyl)amino]-5-nitrobenzamide
SMILESO=C(CN1CCOCC1)Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1F
InChIInChI=1S/C19H19FN4O5/c20-15-3-1-2-4-17(15)22-19(26)14-11-13(24(27)28)5-6-16(14)21-18(25)12-23-7-9-29-10-8-23/h1-6,11H,7-10,12H2,(H,21,25)(H,22,26)
InChIKeyWEGIBENCHBHKKD-UHFFFAOYSA-N
XLogP2.26
TPSA113.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.38
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(2-fluorophenyl)-5-nitro-2-[(2-piperidin-1-ylacetyl)amino]benzamide
CID 2943753
2-fluoro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220830
N-(2-fluorophenyl)-2-[4-(2-methyl-4-nitrophenyl)piperazin-1-yl]acetamide
CID 133417299
2-chloro-N-[2-(morpholine-4-carbonyl)phenyl]-5-nitrobenzamide
CID 4676090
N-(2,6-difluorophenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 51158852
2-methyl-N-[2-(morpholine-4-carbonyl)phenyl]-5-nitrobenzamide
CID 60596512
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-nitrobenzamide
CID 16611977
2-(1,4-diazepan-1-yl)-N-(2-fluoro-4-nitrophenyl)acetamide
CID 62833639
2-morpholin-4-yl-5-nitro-N-(2-nitrophenyl)benzamide
CID 3524695
N-(2,4-difluorophenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 4818651
N-(2-fluorophenyl)-3-morpholin-4-ylpropanamide
CID 575001
2-morpholin-4-yl-N-naphthalen-1-yl-5-nitrobenzamide
CID 7900478

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[(2-morpholin-4-ylacetyl)amino]-5-nitrobenzamide?
The IUPAC name of N-(2-fluorophenyl)-2-[(2-morpholin-4-ylacetyl)amino]-5-nitrobenzamide (CID 2943819) is N-(2-fluorophenyl)-2-[(2-morpholin-4-ylacetyl)amino]-5-nitrobenzamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[(2-morpholin-4-ylacetyl)amino]-5-nitrobenzamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[(2-morpholin-4-ylacetyl)amino]-5-nitrobenzamide is O=C(CN1CCOCC1)Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-[(2-morpholin-4-ylacetyl)amino]-5-nitrobenzamide?
The InChIKey is WEGIBENCHBHKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O5/c20-15-3-1-2-4-17(15)22-19(26)14-11-13(24(27)28)5-6-16(14)21-18(25)12-23-7-9-29-10-8-23/h1-6,11H,7-10,12H2,(H,21,25)(H,22,26).
What are the key properties of N-(2-fluorophenyl)-2-[(2-morpholin-4-ylacetyl)amino]-5-nitrobenzamide?
N-(2-fluorophenyl)-2-[(2-morpholin-4-ylacetyl)amino]-5-nitrobenzamide has a molecular weight of 402.38 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[(2-morpholin-4-ylacetyl)amino]-5-nitrobenzamide is sourced from PubChem (CID 2943819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).