7-amino-N-(5-chloro-2-methyl-4-nitrophenyl)heptanamide

C14H20ClN3O3 — CID 104668158

IUPAC7-amino-N-(5-chloro-2-methyl-4-nitrophenyl)heptanamide
SMILESCc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)CCCCCCN
InChIInChI=1S/C14H20ClN3O3/c1-10-8-13(18(20)21)11(15)9-12(10)17-14(19)6-4-2-3-5-7-16/h8-9H,2-7,16H2,1H3,(H,17,19)
InChIKeyXLPOSLPKCZWNBT-UHFFFAOYSA-N
MW313.78 g/mol
LogP3.40
Rot. Bonds8

About 7-amino-N-(5-chloro-2-methyl-4-nitrophenyl)heptanamide

7-amino-N-(5-chloro-2-methyl-4-nitrophenyl)heptanamide (PubChem CID 104668158) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.78 g/mol. Its IUPAC name is 7-amino-N-(5-chloro-2-methyl-4-nitrophenyl)heptanamide.

Molecular Properties

Compound Name7-amino-N-(5-chloro-2-methyl-4-nitrophenyl)heptanamide
PubChem CID104668158
Molecular FormulaC14H20ClN3O3
Molecular Weight313.78 g/mol
Exact Mass313.12
IUPAC Name7-amino-N-(5-chloro-2-methyl-4-nitrophenyl)heptanamide
SMILESCc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)CCCCCCN
InChIInChI=1S/C14H20ClN3O3/c1-10-8-13(18(20)21)11(15)9-12(10)17-14(19)6-4-2-3-5-7-16/h8-9H,2-7,16H2,1H3,(H,17,19)
InChIKeyXLPOSLPKCZWNBT-UHFFFAOYSA-N
XLogP3.40
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

N-(5-chloro-2-methyl-4-nitrophenyl)hexanamide
CID 17102172
7-amino-N-(4-methyl-2-nitrophenyl)heptanamide
CID 43708379
2-(tert-butylamino)-N-(5-chloro-2-methyl-4-nitrophenyl)acetamide
CID 104668148
3-amino-N-(5-chloro-2-methyl-4-nitrophenyl)-2-methylpropanamide
CID 113439011
3-amino-N-(5-chloro-2-methyl-4-nitrophenyl)hexanamide
CID 104668230
N-(5-chloro-2-methyl-4-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 104668375
N-(5-chloro-2-methyl-4-nitrophenyl)-2-(4-chlorophenoxy)acetamide
CID 2908402
4-(5-chloro-2-methyl-4-nitroanilino)butanamide
CID 115555717
6-amino-N-(2-chloro-4-fluoro-5-methylphenyl)hexanamide
CID 112734750
(E)-4-(5-chloro-2-methyl-4-nitroanilino)-4-oxobut-2-enoic acid
CID 104667808
4-amino-N-(4-chloro-3-nitrophenyl)butanamide
CID 43708466
5-bromo-N-(2,4-dimethyl-5-nitrophenyl)pentanamide
CID 103601694

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(5-chloro-2-methyl-4-nitrophenyl)heptanamide?
The IUPAC name of 7-amino-N-(5-chloro-2-methyl-4-nitrophenyl)heptanamide (CID 104668158) is 7-amino-N-(5-chloro-2-methyl-4-nitrophenyl)heptanamide.
What is the SMILES notation for 7-amino-N-(5-chloro-2-methyl-4-nitrophenyl)heptanamide?
The canonical SMILES for 7-amino-N-(5-chloro-2-methyl-4-nitrophenyl)heptanamide is Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)CCCCCCN.
What is the InChIKey of 7-amino-N-(5-chloro-2-methyl-4-nitrophenyl)heptanamide?
The InChIKey is XLPOSLPKCZWNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O3/c1-10-8-13(18(20)21)11(15)9-12(10)17-14(19)6-4-2-3-5-7-16/h8-9H,2-7,16H2,1H3,(H,17,19).
What are the key properties of 7-amino-N-(5-chloro-2-methyl-4-nitrophenyl)heptanamide?
7-amino-N-(5-chloro-2-methyl-4-nitrophenyl)heptanamide has a molecular weight of 313.78 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(5-chloro-2-methyl-4-nitrophenyl)heptanamide is sourced from PubChem (CID 104668158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).