2-nitro-N-[4-[2-(propanoylamino)ethylcarbamoyl]phenyl]benzamide

C19H20N4O5 — CID 121062307

IUPAC2-nitro-N-[4-[2-(propanoylamino)ethylcarbamoyl]phenyl]benzamide
SMILESCCC(=O)NCCNC(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C19H20N4O5/c1-2-17(24)20-11-12-21-18(25)13-7-9-14(10-8-13)22-19(26)15-5-3-4-6-16(15)23(27)28/h3-10H,2,11-12H2,1H3,(H,20,24)(H,21,25)(H,22,26)
InChIKeyLTVODFZQFOJQAJ-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.10
Rot. Bonds8

About 2-nitro-N-[4-[2-(propanoylamino)ethylcarbamoyl]phenyl]benzamide

2-nitro-N-[4-[2-(propanoylamino)ethylcarbamoyl]phenyl]benzamide (PubChem CID 121062307) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is 2-nitro-N-[4-[2-(propanoylamino)ethylcarbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-nitro-N-[4-[2-(propanoylamino)ethylcarbamoyl]phenyl]benzamide
PubChem CID121062307
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name2-nitro-N-[4-[2-(propanoylamino)ethylcarbamoyl]phenyl]benzamide
SMILESCCC(=O)NCCNC(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C19H20N4O5/c1-2-17(24)20-11-12-21-18(25)13-7-9-14(10-8-13)22-19(26)15-5-3-4-6-16(15)23(27)28/h3-10H,2,11-12H2,1H3,(H,20,24)(H,21,25)(H,22,26)
InChIKeyLTVODFZQFOJQAJ-UHFFFAOYSA-N
XLogP2.10
TPSA130.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

4-(propanoylamino)-N-[2-(propanoylamino)ethyl]benzamide
CID 121062260
4-phenyl-N-[4-[2-(propanoylamino)ethylcarbamoyl]phenyl]benzamide
CID 121062289
4-nitro-N-[2-(propanoylamino)ethyl]benzamide
CID 4153316
2-methyl-N-[4-[[(2-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 3393738
N-(4-ethoxyphenyl)-2-nitrobenzamide
CID 711444
N-[2-(ethylamino)ethyl]-2-nitrobenzamide
CID 62658043
2-nitro-N-(4-phenylphenyl)benzamide
CID 3096329
4-[[2-(2-nitrophenoxy)acetyl]amino]-N-propylbenzamide
CID 17218797
2-nitro-N-[4-[4-[(2-nitrobenzoyl)amino]phenoxy]phenyl]benzamide
CID 2832157
N-[2-chloro-5-(propanoylamino)phenyl]-2-nitrobenzamide
CID 895181
4-[(4-methoxybenzoyl)amino]-N-[2-(propanoylamino)ethyl]benzamide
CID 121062271
N-(4-formylphenyl)-2-nitrobenzamide
CID 25179247

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-[4-[2-(propanoylamino)ethylcarbamoyl]phenyl]benzamide?
The IUPAC name of 2-nitro-N-[4-[2-(propanoylamino)ethylcarbamoyl]phenyl]benzamide (CID 121062307) is 2-nitro-N-[4-[2-(propanoylamino)ethylcarbamoyl]phenyl]benzamide.
What is the SMILES notation for 2-nitro-N-[4-[2-(propanoylamino)ethylcarbamoyl]phenyl]benzamide?
The canonical SMILES for 2-nitro-N-[4-[2-(propanoylamino)ethylcarbamoyl]phenyl]benzamide is CCC(=O)NCCNC(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of 2-nitro-N-[4-[2-(propanoylamino)ethylcarbamoyl]phenyl]benzamide?
The InChIKey is LTVODFZQFOJQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5/c1-2-17(24)20-11-12-21-18(25)13-7-9-14(10-8-13)22-19(26)15-5-3-4-6-16(15)23(27)28/h3-10H,2,11-12H2,1H3,(H,20,24)(H,21,25)(H,22,26).
What are the key properties of 2-nitro-N-[4-[2-(propanoylamino)ethylcarbamoyl]phenyl]benzamide?
2-nitro-N-[4-[2-(propanoylamino)ethylcarbamoyl]phenyl]benzamide has a molecular weight of 384.39 g/mol, XLogP of 2.10, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-[4-[2-(propanoylamino)ethylcarbamoyl]phenyl]benzamide is sourced from PubChem (CID 121062307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).