6-amino-N-(5-chloro-2-nitrophenyl)-2-methylheptanamide

C14H20ClN3O3 — CID 65290555

IUPAC6-amino-N-(5-chloro-2-nitrophenyl)-2-methylheptanamide
SMILESCC(N)CCCC(C)C(=O)Nc1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H20ClN3O3/c1-9(4-3-5-10(2)16)14(19)17-12-8-11(15)6-7-13(12)18(20)21/h6-10H,3-5,16H2,1-2H3,(H,17,19)
InChIKeySOVKFQAGJZLQDF-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.34
Rot. Bonds7

About 6-amino-N-(5-chloro-2-nitrophenyl)-2-methylheptanamide

6-amino-N-(5-chloro-2-nitrophenyl)-2-methylheptanamide (PubChem CID 65290555) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.79 g/mol. Its IUPAC name is 6-amino-N-(5-chloro-2-nitrophenyl)-2-methylheptanamide.

Molecular Properties

Compound Name6-amino-N-(5-chloro-2-nitrophenyl)-2-methylheptanamide
PubChem CID65290555
Molecular FormulaC14H20ClN3O3
Molecular Weight313.79 g/mol
Exact Mass313.12
IUPAC Name6-amino-N-(5-chloro-2-nitrophenyl)-2-methylheptanamide
SMILESCC(N)CCCC(C)C(=O)Nc1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H20ClN3O3/c1-9(4-3-5-10(2)16)14(19)17-12-8-11(15)6-7-13(12)18(20)21/h6-10H,3-5,16H2,1-2H3,(H,17,19)
InChIKeySOVKFQAGJZLQDF-UHFFFAOYSA-N
XLogP3.34
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.34
H-Bond Donors ≤ 52
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'}

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Related Compounds

6-amino-2-methyl-N-(2-nitrophenyl)heptanamide
CID 65290463
6-amino-N-(5-chloro-2-fluorophenyl)-2-methylheptanamide
CID 65292812
2-amino-N-(5-chloro-2-nitrophenyl)pentanamide
CID 43703652
3-(5-chloro-2-nitroanilino)-2-methyl-3-oxopropanoic acid
CID 114897912
2-amino-N-(5-chloro-2-nitrophenyl)-3-methoxypropanamide
CID 81082919
5-(5-chloro-2-nitroanilino)hexanoic acid
CID 82846242
3-amino-N-(4-chloro-2-nitrophenyl)butanamide
CID 60837665
2-(butan-2-ylamino)-N-(5-chloro-2-nitrophenyl)acetamide
CID 60646934
3-(aminomethyl)-N-(5-chloro-2-nitrophenyl)pentanamide
CID 81076302
6-amino-N-(5-bromo-2-cyanophenyl)-2-methylheptanamide
CID 107798147
N-(5-chloro-2-nitrophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336439
5-amino-N-(2-bromo-4-chlorophenyl)-2-methylpentanamide
CID 113441065

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(5-chloro-2-nitrophenyl)-2-methylheptanamide?
The IUPAC name of 6-amino-N-(5-chloro-2-nitrophenyl)-2-methylheptanamide (CID 65290555) is 6-amino-N-(5-chloro-2-nitrophenyl)-2-methylheptanamide.
What is the SMILES notation for 6-amino-N-(5-chloro-2-nitrophenyl)-2-methylheptanamide?
The canonical SMILES for 6-amino-N-(5-chloro-2-nitrophenyl)-2-methylheptanamide is CC(N)CCCC(C)C(=O)Nc1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 6-amino-N-(5-chloro-2-nitrophenyl)-2-methylheptanamide?
The InChIKey is SOVKFQAGJZLQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O3/c1-9(4-3-5-10(2)16)14(19)17-12-8-11(15)6-7-13(12)18(20)21/h6-10H,3-5,16H2,1-2H3,(H,17,19).
What are the key properties of 6-amino-N-(5-chloro-2-nitrophenyl)-2-methylheptanamide?
6-amino-N-(5-chloro-2-nitrophenyl)-2-methylheptanamide has a molecular weight of 313.79 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(5-chloro-2-nitrophenyl)-2-methylheptanamide is sourced from PubChem (CID 65290555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).