4-chloro-N-(4-nitrophenyl)butanamide

C10H11ClN2O3 — CID 4586248

IUPAC4-chloro-N-(4-nitrophenyl)butanamide
SMILESO=C(CCCCl)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H11ClN2O3/c11-7-1-2-10(14)12-8-3-5-9(6-4-8)13(15)16/h3-6H,1-2,7H2,(H,12,14)
InChIKeySEZFNAQBBUCGAI-UHFFFAOYSA-N
MW242.66 g/mol
LogP2.55
Rot. Bonds5

About 4-chloro-N-(4-nitrophenyl)butanamide

4-chloro-N-(4-nitrophenyl)butanamide (PubChem CID 4586248) has the molecular formula C10H11ClN2O3 and a molecular weight of 242.66 g/mol. Its IUPAC name is 4-chloro-N-(4-nitrophenyl)butanamide.

Molecular Properties

Compound Name4-chloro-N-(4-nitrophenyl)butanamide
PubChem CID4586248
Molecular FormulaC10H11ClN2O3
Molecular Weight242.66 g/mol
Exact Mass242.05
IUPAC Name4-chloro-N-(4-nitrophenyl)butanamide
SMILESO=C(CCCCl)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H11ClN2O3/c11-7-1-2-10(14)12-8-3-5-9(6-4-8)13(15)16/h3-6H,1-2,7H2,(H,12,14)
InChIKeySEZFNAQBBUCGAI-UHFFFAOYSA-N
XLogP2.55
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(4-nitrophenyl)tridecanamide
CID 86103066
N-(4-nitrophenyl)hexadecanamide
CID 14087849
4-chloro-N-(4-methyl-3-nitrophenyl)butanamide
CID 4067573
2-nitro-N-(4-nitrophenyl)acetamide
CID 19743312
N-(4-nitrophenyl)icosa-5,8,11,14-tetraenamide
CID 53394071
N-[4-(4-chloroanilino)-4-oxobutyl]-4-(4-nitroanilino)butanamide
CID 55990574
2-aminooxy-N-(4-nitrophenyl)acetamide
CID 159220259
N-[4-(4-nitrophenyl)sulfonylphenyl]heptanamide
CID 46707517
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
3-[methyl-[3-(4-nitroanilino)-3-oxopropyl]amino]propanoic acid
CID 119912234
N-[4-[(4-nitrophenyl)methylamino]phenyl]decanamide
CID 154663728
N-(4-chlorophenyl)-N'-[(4-nitrophenyl)methylideneamino]butanediamide
CID 2293023

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-nitrophenyl)butanamide?
The IUPAC name of 4-chloro-N-(4-nitrophenyl)butanamide (CID 4586248) is 4-chloro-N-(4-nitrophenyl)butanamide.
What is the SMILES notation for 4-chloro-N-(4-nitrophenyl)butanamide?
The canonical SMILES for 4-chloro-N-(4-nitrophenyl)butanamide is O=C(CCCCl)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-chloro-N-(4-nitrophenyl)butanamide?
The InChIKey is SEZFNAQBBUCGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3/c11-7-1-2-10(14)12-8-3-5-9(6-4-8)13(15)16/h3-6H,1-2,7H2,(H,12,14).
What are the key properties of 4-chloro-N-(4-nitrophenyl)butanamide?
4-chloro-N-(4-nitrophenyl)butanamide has a molecular weight of 242.66 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-nitrophenyl)butanamide is sourced from PubChem (CID 4586248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).