5-chloro-N-methyl-N-(4-nitrophenyl)pentanamide

C12H15ClN2O3 — CID 28971596

IUPAC5-chloro-N-methyl-N-(4-nitrophenyl)pentanamide
SMILESCN(C(=O)CCCCCl)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H15ClN2O3/c1-14(12(16)4-2-3-9-13)10-5-7-11(8-6-10)15(17)18/h5-8H,2-4,9H2,1H3
InChIKeyDTIPPBCWZHTJPA-UHFFFAOYSA-N
MW270.72 g/mol
LogP2.97
Rot. Bonds6

About 5-chloro-N-methyl-N-(4-nitrophenyl)pentanamide

5-chloro-N-methyl-N-(4-nitrophenyl)pentanamide (PubChem CID 28971596) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-(4-nitrophenyl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-(4-nitrophenyl)pentanamide
PubChem CID28971596
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name5-chloro-N-methyl-N-(4-nitrophenyl)pentanamide
SMILESCN(C(=O)CCCCCl)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H15ClN2O3/c1-14(12(16)4-2-3-9-13)10-5-7-11(8-6-10)15(17)18/h5-8H,2-4,9H2,1H3
InChIKeyDTIPPBCWZHTJPA-UHFFFAOYSA-N
XLogP2.97
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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-methyl-N-(4-nitrophenyl)octanamide
CID 71368131
5-bromo-N-methyl-N-(4-nitrophenyl)pentanamide
CID 107907357
4-chloro-N-methyl-N-(4-methylphenyl)butanamide
CID 63308688
4-chloro-N-methyl-N-phenylbutanamide
CID 16780864
N-methyl-N-(4-nitrophenyl)-2-phenylsulfanylacetamide
CID 41161935
N-methyl-N-(4-nitrophenyl)-3-piperidin-2-ylpropanamide
CID 62210857
2-chloro-N-(4-nitrophenyl)-N-phenylacetamide
CID 10979160
2-cyclopentyloxy-N-methyl-N-(4-nitrophenyl)acetamide
CID 75415358
1-chloropentane;4-nitrophenol
CID 175271620
2-[[methyl-(4-nitrophenyl)carbamoyl]amino]acetic acid
CID 43445668
ethyl 4-[2-(N-methyl-4-nitroanilino)-2-oxoethoxy]benzoate
CID 42156725
1-chloroethyl N-methyl-N-(4-nitrophenyl)carbamate
CID 70215263

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-(4-nitrophenyl)pentanamide?
The IUPAC name of 5-chloro-N-methyl-N-(4-nitrophenyl)pentanamide (CID 28971596) is 5-chloro-N-methyl-N-(4-nitrophenyl)pentanamide.
What is the SMILES notation for 5-chloro-N-methyl-N-(4-nitrophenyl)pentanamide?
The canonical SMILES for 5-chloro-N-methyl-N-(4-nitrophenyl)pentanamide is CN(C(=O)CCCCCl)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 5-chloro-N-methyl-N-(4-nitrophenyl)pentanamide?
The InChIKey is DTIPPBCWZHTJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-14(12(16)4-2-3-9-13)10-5-7-11(8-6-10)15(17)18/h5-8H,2-4,9H2,1H3.
What are the key properties of 5-chloro-N-methyl-N-(4-nitrophenyl)pentanamide?
5-chloro-N-methyl-N-(4-nitrophenyl)pentanamide has a molecular weight of 270.72 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-(4-nitrophenyl)pentanamide is sourced from PubChem (CID 28971596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).