4-chloro-N-ethyl-2-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide

C14H18ClN3O4 — CID 51157101

IUPAC4-chloro-N-ethyl-2-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
SMILESCCN(CC(=O)NC(C)C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C14H18ClN3O4/c1-4-17(8-13(19)16-9(2)3)14(20)11-6-5-10(15)7-12(11)18(21)22/h5-7,9H,4,8H2,1-3H3,(H,16,19)
InChIKeyRFNDBURIRWEUKG-UHFFFAOYSA-N
MW327.77 g/mol
LogP2.23
Rot. Bonds6

About 4-chloro-N-ethyl-2-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide

4-chloro-N-ethyl-2-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide (PubChem CID 51157101) has the molecular formula C14H18ClN3O4 and a molecular weight of 327.77 g/mol. Its IUPAC name is 4-chloro-N-ethyl-2-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-ethyl-2-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
PubChem CID51157101
Molecular FormulaC14H18ClN3O4
Molecular Weight327.77 g/mol
Exact Mass327.10
IUPAC Name4-chloro-N-ethyl-2-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
SMILESCCN(CC(=O)NC(C)C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C14H18ClN3O4/c1-4-17(8-13(19)16-9(2)3)14(20)11-6-5-10(15)7-12(11)18(21)22/h5-7,9H,4,8H2,1-3H3,(H,16,19)
InChIKeyRFNDBURIRWEUKG-UHFFFAOYSA-N
XLogP2.23
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 52.23
H-Bond Donors ≤ 51
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'}

Analyze 4-chloro-N-ethyl-2-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-chloro-2-nitrobenzoyl)-ethylamino]acetic acid
CID 54900924
3-[(4-chloro-2-nitrobenzoyl)-ethylamino]propanoic acid
CID 61006681
N-ethyl-4-methyl-3-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 24529355
4-chloro-2-nitro-N-propan-2-ylbenzamide
CID 789174
2-[(4-chloro-2-nitrobenzoyl)-(2-methylpropyl)amino]acetic acid
CID 63071854
N-butyl-4-chloro-N-(2-chloroethyl)-2-nitrobenzamide
CID 63391034
2,4-dichloro-N-ethyl-5-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 46823565
N-butan-2-yl-4-chloro-2-nitrobenzamide
CID 4080070
4-chloro-N-[2-(diethylamino)-3-methylbutyl]-2-nitrobenzamide
CID 43074952
5-chloro-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-2-carboxamide
CID 134002575
2-[(4-chloro-2-nitrophenyl)methylamino]-N-propan-2-ylacetamide
CID 62100924
4-chloro-N-(3-hydroxybutyl)-N-methyl-2-nitrobenzamide
CID 111695702

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-2-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The IUPAC name of 4-chloro-N-ethyl-2-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide (CID 51157101) is 4-chloro-N-ethyl-2-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-ethyl-2-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The canonical SMILES for 4-chloro-N-ethyl-2-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide is CCN(CC(=O)NC(C)C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 4-chloro-N-ethyl-2-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The InChIKey is RFNDBURIRWEUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O4/c1-4-17(8-13(19)16-9(2)3)14(20)11-6-5-10(15)7-12(11)18(21)22/h5-7,9H,4,8H2,1-3H3,(H,16,19).
What are the key properties of 4-chloro-N-ethyl-2-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
4-chloro-N-ethyl-2-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide has a molecular weight of 327.77 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-2-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 51157101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).