2-amino-3-chloro-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide

C14H20ClN3O3 — CID 107200357

IUPAC2-amino-3-chloro-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide
SMILESCC(C)CC(C)N(C)C(=O)c1cc([N+](=O)[O-])cc(Cl)c1N
InChIInChI=1S/C14H20ClN3O3/c1-8(2)5-9(3)17(4)14(19)11-6-10(18(20)21)7-12(15)13(11)16/h6-9H,5,16H2,1-4H3
InChIKeyQEFSQQUVUHXSJD-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.34
Rot. Bonds5

About 2-amino-3-chloro-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide

2-amino-3-chloro-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide (PubChem CID 107200357) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.79 g/mol. Its IUPAC name is 2-amino-3-chloro-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide
PubChem CID107200357
Molecular FormulaC14H20ClN3O3
Molecular Weight313.79 g/mol
Exact Mass313.12
IUPAC Name2-amino-3-chloro-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide
SMILESCC(C)CC(C)N(C)C(=O)c1cc([N+](=O)[O-])cc(Cl)c1N
InChIInChI=1S/C14H20ClN3O3/c1-8(2)5-9(3)17(4)14(19)11-6-10(18(20)21)7-12(15)13(11)16/h6-9H,5,16H2,1-4H3
InChIKeyQEFSQQUVUHXSJD-UHFFFAOYSA-N
XLogP3.34
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

2,3-dichloro-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide
CID 107188279
2-amino-3-chloro-N-[2-(dimethylamino)propyl]-5-nitrobenzamide
CID 107200277
N-butan-2-yl-2,3-dichloro-N-methyl-5-nitrobenzamide
CID 107187433
2-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide
CID 62244026
2-amino-3-chloro-N-(5-hydroxypentyl)-N-methyl-5-nitrobenzamide
CID 107201050
2-amino-3-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-5-nitrobenzamide
CID 107200395
2,3-dichloro-N-methyl-5-nitro-N-pentan-3-ylbenzamide
CID 107187529
4-amino-N-methyl-N-(4-methylpentan-2-yl)-3-nitrobenzamide
CID 46402417
2-amino-3-chloro-N-methyl-5-nitrobenzamide
CID 107199890
2-amino-N-butan-2-yl-N-methyl-5-nitropyridine-3-carboxamide
CID 104589876
2-amino-3-chloro-N-(1-methylsulfonylpropan-2-yl)-5-nitrobenzamide
CID 107200617
5-hydrazinyl-N-methyl-N-(4-methylpentan-2-yl)-2-nitrobenzamide
CID 62241474

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide?
The IUPAC name of 2-amino-3-chloro-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide (CID 107200357) is 2-amino-3-chloro-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide.
What is the SMILES notation for 2-amino-3-chloro-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide?
The canonical SMILES for 2-amino-3-chloro-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide is CC(C)CC(C)N(C)C(=O)c1cc([N+](=O)[O-])cc(Cl)c1N.
What is the InChIKey of 2-amino-3-chloro-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide?
The InChIKey is QEFSQQUVUHXSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O3/c1-8(2)5-9(3)17(4)14(19)11-6-10(18(20)21)7-12(15)13(11)16/h6-9H,5,16H2,1-4H3.
What are the key properties of 2-amino-3-chloro-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide?
2-amino-3-chloro-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide has a molecular weight of 313.79 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-N-methyl-N-(4-methylpentan-2-yl)-5-nitrobenzamide is sourced from PubChem (CID 107200357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).