(2R)-2-acetamido-N-[(2-chloro-5-nitrophenyl)methyl]-N,3-dimethylbutanamide

C15H20ClN3O4 — CID 51481363

IUPAC(2R)-2-acetamido-N-[(2-chloro-5-nitrophenyl)methyl]-N,3-dimethylbutanamide
SMILESCC(=O)N[C@@H](C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)C(C)C
InChIInChI=1S/C15H20ClN3O4/c1-9(2)14(17-10(3)20)15(21)18(4)8-11-7-12(19(22)23)5-6-13(11)16/h5-7,9,14H,8H2,1-4H3,(H,17,20)/t14-/m1/s1
InChIKeyQXXRTNLRVZNKIP-CQSZACIVSA-N
MW341.80 g/mol
LogP2.37
Rot. Bonds6

About (2R)-2-acetamido-N-[(2-chloro-5-nitrophenyl)methyl]-N,3-dimethylbutanamide

(2R)-2-acetamido-N-[(2-chloro-5-nitrophenyl)methyl]-N,3-dimethylbutanamide (PubChem CID 51481363) has the molecular formula C15H20ClN3O4 and a molecular weight of 341.80 g/mol. Its IUPAC name is (2R)-2-acetamido-N-[(2-chloro-5-nitrophenyl)methyl]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-N-[(2-chloro-5-nitrophenyl)methyl]-N,3-dimethylbutanamide
PubChem CID51481363
Molecular FormulaC15H20ClN3O4
Molecular Weight341.80 g/mol
Exact Mass341.11
IUPAC Name(2R)-2-acetamido-N-[(2-chloro-5-nitrophenyl)methyl]-N,3-dimethylbutanamide
SMILESCC(=O)N[C@@H](C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)C(C)C
InChIInChI=1S/C15H20ClN3O4/c1-9(2)14(17-10(3)20)15(21)18(4)8-11-7-12(19(22)23)5-6-13(11)16/h5-7,9,14H,8H2,1-4H3,(H,17,20)/t14-/m1/s1
InChIKeyQXXRTNLRVZNKIP-CQSZACIVSA-N
XLogP2.37
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 52.37
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 (2R)-2-acetamido-N-[(2-chloro-5-nitrophenyl)methyl]-N,3-dimethylbutanamide 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-amino-N-[(2-chloro-5-nitrophenyl)methyl]-N,3-dimethylpentanamide
CID 119696303
2-acetamido-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylbutanamide
CID 78771053
5-acetamido-N-[(2-chloro-5-nitrophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 18144110
2-chloro-N-[(2R)-3-methyl-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxobutan-2-yl]-4-nitrobenzamide
CID 51923694
N-[(2-chloro-5-nitrophenyl)methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 63479530
2-[(2-chloro-5-nitrophenyl)methyl-methylamino]ethanol
CID 60960383
N-[(2-chloro-5-nitrophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 51268613
N-[(2-chloro-5-nitrophenyl)methyl]-3-methoxy-N-methyl-4-propan-2-yloxybenzamide
CID 51268621
2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 43216548
2-acetamido-N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 134053978
N-[(2-chloro-5-nitrophenyl)methyl]-N,5-dimethylfuran-2-carboxamide
CID 51298848
N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-4-methylsulfanylbenzamide
CID 86914869

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-N-[(2-chloro-5-nitrophenyl)methyl]-N,3-dimethylbutanamide?
The IUPAC name of (2R)-2-acetamido-N-[(2-chloro-5-nitrophenyl)methyl]-N,3-dimethylbutanamide (CID 51481363) is (2R)-2-acetamido-N-[(2-chloro-5-nitrophenyl)methyl]-N,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-acetamido-N-[(2-chloro-5-nitrophenyl)methyl]-N,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-acetamido-N-[(2-chloro-5-nitrophenyl)methyl]-N,3-dimethylbutanamide is CC(=O)N[C@@H](C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)C(C)C.
What is the InChIKey of (2R)-2-acetamido-N-[(2-chloro-5-nitrophenyl)methyl]-N,3-dimethylbutanamide?
The InChIKey is QXXRTNLRVZNKIP-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20ClN3O4/c1-9(2)14(17-10(3)20)15(21)18(4)8-11-7-12(19(22)23)5-6-13(11)16/h5-7,9,14H,8H2,1-4H3,(H,17,20)/t14-/m1/s1.
What are the key properties of (2R)-2-acetamido-N-[(2-chloro-5-nitrophenyl)methyl]-N,3-dimethylbutanamide?
(2R)-2-acetamido-N-[(2-chloro-5-nitrophenyl)methyl]-N,3-dimethylbutanamide has a molecular weight of 341.80 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-N-[(2-chloro-5-nitrophenyl)methyl]-N,3-dimethylbutanamide is sourced from PubChem (CID 51481363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).