4-amino-N-(4-chloro-3-nitrophenyl)butanamide

C10H12ClN3O3 — CID 43708466

IUPAC4-amino-N-(4-chloro-3-nitrophenyl)butanamide
SMILESNCCCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C10H12ClN3O3/c11-8-4-3-7(6-9(8)14(16)17)13-10(15)2-1-5-12/h3-4,6H,1-2,5,12H2,(H,13,15)
InChIKeyYFCOWKDPONNFIU-UHFFFAOYSA-N
MW257.68 g/mol
LogP1.93
Rot. Bonds5

About 4-amino-N-(4-chloro-3-nitrophenyl)butanamide

4-amino-N-(4-chloro-3-nitrophenyl)butanamide (PubChem CID 43708466) has the molecular formula C10H12ClN3O3 and a molecular weight of 257.68 g/mol. Its IUPAC name is 4-amino-N-(4-chloro-3-nitrophenyl)butanamide.

Molecular Properties

Compound Name4-amino-N-(4-chloro-3-nitrophenyl)butanamide
PubChem CID43708466
Molecular FormulaC10H12ClN3O3
Molecular Weight257.68 g/mol
Exact Mass257.06
IUPAC Name4-amino-N-(4-chloro-3-nitrophenyl)butanamide
SMILESNCCCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C10H12ClN3O3/c11-8-4-3-7(6-9(8)14(16)17)13-10(15)2-1-5-12/h3-4,6H,1-2,5,12H2,(H,13,15)
InChIKeyYFCOWKDPONNFIU-UHFFFAOYSA-N
XLogP1.93
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 51.93
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

N,N'-bis(4-chloro-3-nitrophenyl)decanediamide
CID 17080083
N,N'-bis(4-chloro-3-nitrophenyl)butanediamide
CID 3339507
4-amino-N-(3,4-dichlorophenyl)butanamide;hydrochloride
CID 119262031
N-(4-chloro-3-nitrophenyl)-3-(2-chlorophenyl)propanamide
CID 17178923
3-[butyl(methyl)amino]-N-(4-chloro-3-nitrophenyl)propanamide
CID 108806818
5-(4-aminobutanoylamino)-2-chlorobenzamide
CID 43707268
N,N'-bis(4-fluoro-3-nitrophenyl)pentanediamide
CID 4303961
N-(4-chloro-3-nitrophenyl)-3-(3-chlorophenyl)propanamide
CID 1407398
4-amino-N-(3-bromo-4-chlorophenyl)butanamide;hydrochloride
CID 119322335
4-amino-N-(3-chloro-4-fluorophenyl)butanamide
CID 22692197
N-(4-chloro-3-nitrophenyl)-4-(4-propylphenoxy)butanamide
CID 19191422
N-(4-chloro-3-nitrophenyl)-2-(4-fluorophenyl)acetamide
CID 3319160

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-chloro-3-nitrophenyl)butanamide?
The IUPAC name of 4-amino-N-(4-chloro-3-nitrophenyl)butanamide (CID 43708466) is 4-amino-N-(4-chloro-3-nitrophenyl)butanamide.
What is the SMILES notation for 4-amino-N-(4-chloro-3-nitrophenyl)butanamide?
The canonical SMILES for 4-amino-N-(4-chloro-3-nitrophenyl)butanamide is NCCCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 4-amino-N-(4-chloro-3-nitrophenyl)butanamide?
The InChIKey is YFCOWKDPONNFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O3/c11-8-4-3-7(6-9(8)14(16)17)13-10(15)2-1-5-12/h3-4,6H,1-2,5,12H2,(H,13,15).
What are the key properties of 4-amino-N-(4-chloro-3-nitrophenyl)butanamide?
4-amino-N-(4-chloro-3-nitrophenyl)butanamide has a molecular weight of 257.68 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-chloro-3-nitrophenyl)butanamide is sourced from PubChem (CID 43708466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).