(4-nitrophenyl)methyl 2-[(4-chloropyridine-2-carbonyl)amino]acetate

C15H12ClN3O5 — CID 8820578

IUPAC(4-nitrophenyl)methyl 2-[(4-chloropyridine-2-carbonyl)amino]acetate
SMILESO=C(CNC(=O)c1cc(Cl)ccn1)OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H12ClN3O5/c16-11-5-6-17-13(7-11)15(21)18-8-14(20)24-9-10-1-3-12(4-2-10)19(22)23/h1-7H,8-9H2,(H,18,21)
InChIKeyXOCLAFKRLSGZJB-UHFFFAOYSA-N
MW349.73 g/mol
LogP2.12
Rot. Bonds6

About (4-nitrophenyl)methyl 2-[(4-chloropyridine-2-carbonyl)amino]acetate

(4-nitrophenyl)methyl 2-[(4-chloropyridine-2-carbonyl)amino]acetate (PubChem CID 8820578) has the molecular formula C15H12ClN3O5 and a molecular weight of 349.73 g/mol. Its IUPAC name is (4-nitrophenyl)methyl 2-[(4-chloropyridine-2-carbonyl)amino]acetate.

Molecular Properties

Compound Name(4-nitrophenyl)methyl 2-[(4-chloropyridine-2-carbonyl)amino]acetate
PubChem CID8820578
Molecular FormulaC15H12ClN3O5
Molecular Weight349.73 g/mol
Exact Mass349.05
IUPAC Name(4-nitrophenyl)methyl 2-[(4-chloropyridine-2-carbonyl)amino]acetate
SMILESO=C(CNC(=O)c1cc(Cl)ccn1)OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H12ClN3O5/c16-11-5-6-17-13(7-11)15(21)18-8-14(20)24-9-10-1-3-12(4-2-10)19(22)23/h1-7H,8-9H2,(H,18,21)
InChIKeyXOCLAFKRLSGZJB-UHFFFAOYSA-N
XLogP2.12
TPSA111.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.73
LogP ≤ 52.12
H-Bond Donors ≤ 51
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'}

Analyze (4-nitrophenyl)methyl 2-[(4-chloropyridine-2-carbonyl)amino]acetate 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

(4-nitrophenyl)methyl 2-[(4-fluorobenzoyl)amino]acetate
CID 7877988
(4-nitrophenyl)methyl 3-chloro-3-oxopropanoate
CID 71324193
4-chloro-N-[2-oxo-2-(phenylmethoxyamino)ethyl]pyridine-2-carboxamide
CID 9227627
(4-nitrophenyl)methyl 2-(2,4-dichlorophenoxy)acetate
CID 1310079
[(2S)-1-amino-1-oxopropan-2-yl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate
CID 8854281
N-(4-chloro-2-pyridinyl)-2-(4-nitrophenyl)acetamide
CID 115577532
(4-methylphenyl)methyl 2-[(3-nitrobenzoyl)amino]acetate
CID 9269465
[2-(4-tert-butylanilino)-2-oxoethyl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate
CID 8820693
4-chloro-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
CID 43216964
methyl 2-[[2-[4-[(4-chloropyridine-2-carbonyl)amino]phenyl]acetyl]amino]acetate
CID 55781667
methyl 2-[[4-(4-chlorophenyl)pyridine-2-carbonyl]amino]acetate
CID 24891148
[4-(4-nitrophenyl)sulfanylphenyl]methyl 2-[[2-[(4-methoxybenzoyl)amino]acetyl]amino]acetate
CID 2968573

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl)methyl 2-[(4-chloropyridine-2-carbonyl)amino]acetate?
The IUPAC name of (4-nitrophenyl)methyl 2-[(4-chloropyridine-2-carbonyl)amino]acetate (CID 8820578) is (4-nitrophenyl)methyl 2-[(4-chloropyridine-2-carbonyl)amino]acetate.
What is the SMILES notation for (4-nitrophenyl)methyl 2-[(4-chloropyridine-2-carbonyl)amino]acetate?
The canonical SMILES for (4-nitrophenyl)methyl 2-[(4-chloropyridine-2-carbonyl)amino]acetate is O=C(CNC(=O)c1cc(Cl)ccn1)OCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (4-nitrophenyl)methyl 2-[(4-chloropyridine-2-carbonyl)amino]acetate?
The InChIKey is XOCLAFKRLSGZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O5/c16-11-5-6-17-13(7-11)15(21)18-8-14(20)24-9-10-1-3-12(4-2-10)19(22)23/h1-7H,8-9H2,(H,18,21).
What are the key properties of (4-nitrophenyl)methyl 2-[(4-chloropyridine-2-carbonyl)amino]acetate?
(4-nitrophenyl)methyl 2-[(4-chloropyridine-2-carbonyl)amino]acetate has a molecular weight of 349.73 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl)methyl 2-[(4-chloropyridine-2-carbonyl)amino]acetate is sourced from PubChem (CID 8820578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).