N-(5-chloro-4-nitro-2-propoxyphenyl)acetamide

C11H13ClN2O4 — CID 2780656

IUPACN-(5-chloro-4-nitro-2-propoxyphenyl)acetamide
SMILESCCCOc1cc([N+](=O)[O-])c(Cl)cc1NC(C)=O
InChIInChI=1S/C11H13ClN2O4/c1-3-4-18-11-6-10(14(16)17)8(12)5-9(11)13-7(2)15/h5-6H,3-4H2,1-2H3,(H,13,15)
InChIKeyFSXBTUPQDDIZGD-UHFFFAOYSA-N
MW272.69 g/mol
LogP3.00
Rot. Bonds5

About N-(5-chloro-4-nitro-2-propoxyphenyl)acetamide

N-(5-chloro-4-nitro-2-propoxyphenyl)acetamide (PubChem CID 2780656) has the molecular formula C11H13ClN2O4 and a molecular weight of 272.69 g/mol. Its IUPAC name is N-(5-chloro-4-nitro-2-propoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-4-nitro-2-propoxyphenyl)acetamide
PubChem CID2780656
Molecular FormulaC11H13ClN2O4
Molecular Weight272.69 g/mol
Exact Mass272.06
IUPAC NameN-(5-chloro-4-nitro-2-propoxyphenyl)acetamide
SMILESCCCOc1cc([N+](=O)[O-])c(Cl)cc1NC(C)=O
InChIInChI=1S/C11H13ClN2O4/c1-3-4-18-11-6-10(14(16)17)8(12)5-9(11)13-7(2)15/h5-6H,3-4H2,1-2H3,(H,13,15)
InChIKeyFSXBTUPQDDIZGD-UHFFFAOYSA-N
XLogP3.00
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 53.00
H-Bond Donors ≤ 51
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'}

Analyze N-(5-chloro-4-nitro-2-propoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-dichloro-5-propoxyphenyl)acetamide
CID 165356736
5-acetamido-4-ethoxy-2-nitrobenzoic acid
CID 56605207
N-(4-chloro-5-ethyl-2-nitrophenyl)acetamide
CID 119091094
3-nitro-4-propoxybenzoyl chloride
CID 95732806
N-ethyl-5-nitro-2,4-dipropoxyaniline
CID 96710244
2-nitro-N-(2-nitro-4,5-dipropoxyphenyl)benzamide
CID 55460788
4-butoxy-N-(5-chloro-2-methyl-4-nitrophenyl)benzamide
CID 17102214
2-(2-acetamido-5-acetylphenoxy)-N-(4-chloro-3-nitrophenyl)acetamide
CID 24534004
tert-butyl 4-acetamido-2-butoxy-5-nitrobenzoate
CID 155680052
N-[5-(diethylamino)-2-[(2,4-dinitro-5-propoxyphenyl)diazenyl]phenyl]acetamide
CID 10994155
1-chloro-4-nitro-2,5-dioctoxybenzene
CID 19040188
N-[4-chloro-5-(fluoromethyl)-2-nitrophenyl]acetamide
CID 22411317

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-nitro-2-propoxyphenyl)acetamide?
The IUPAC name of N-(5-chloro-4-nitro-2-propoxyphenyl)acetamide (CID 2780656) is N-(5-chloro-4-nitro-2-propoxyphenyl)acetamide.
What is the SMILES notation for N-(5-chloro-4-nitro-2-propoxyphenyl)acetamide?
The canonical SMILES for N-(5-chloro-4-nitro-2-propoxyphenyl)acetamide is CCCOc1cc([N+](=O)[O-])c(Cl)cc1NC(C)=O.
What is the InChIKey of N-(5-chloro-4-nitro-2-propoxyphenyl)acetamide?
The InChIKey is FSXBTUPQDDIZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O4/c1-3-4-18-11-6-10(14(16)17)8(12)5-9(11)13-7(2)15/h5-6H,3-4H2,1-2H3,(H,13,15).
What are the key properties of N-(5-chloro-4-nitro-2-propoxyphenyl)acetamide?
N-(5-chloro-4-nitro-2-propoxyphenyl)acetamide has a molecular weight of 272.69 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-nitro-2-propoxyphenyl)acetamide is sourced from PubChem (CID 2780656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).