ethyl N-(3-chloro-4-nitrophenyl)carbamate

C9H9ClN2O4 — CID 22921588

IUPACethyl N-(3-chloro-4-nitrophenyl)carbamate
SMILESCCOC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C9H9ClN2O4/c1-2-16-9(13)11-6-3-4-8(12(14)15)7(10)5-6/h3-5H,2H2,1H3,(H,11,13)
InChIKeyFVKPSWPLXYBBQF-UHFFFAOYSA-N
MW244.63 g/mol
LogP2.82
Rot. Bonds3

About ethyl N-(3-chloro-4-nitrophenyl)carbamate

ethyl N-(3-chloro-4-nitrophenyl)carbamate (PubChem CID 22921588) has the molecular formula C9H9ClN2O4 and a molecular weight of 244.63 g/mol. Its IUPAC name is ethyl N-(3-chloro-4-nitrophenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(3-chloro-4-nitrophenyl)carbamate
PubChem CID22921588
Molecular FormulaC9H9ClN2O4
Molecular Weight244.63 g/mol
Exact Mass244.03
IUPAC Nameethyl N-(3-chloro-4-nitrophenyl)carbamate
SMILESCCOC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C9H9ClN2O4/c1-2-16-9(13)11-6-3-4-8(12(14)15)7(10)5-6/h3-5H,2H2,1H3,(H,11,13)
InChIKeyFVKPSWPLXYBBQF-UHFFFAOYSA-N
XLogP2.82
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.63
LogP ≤ 52.82
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'}

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Related Compounds

ethyl N-(3-chloro-4-hydroxyphenyl)carbamate
CID 64787909
2-(2-aminoethoxy)-N-(3-chloro-4-nitrophenyl)acetamide
CID 82864620
2-bromo-N-(3-chloro-4-nitrophenyl)butanamide
CID 82864976
ethyl N-[3-[2-(4-chloro-3-nitroanilino)-2-oxoethoxy]phenyl]carbamate
CID 29183038
N-(3-chloro-4-nitrophenyl)-2-(ethylamino)-2-methylpropanamide
CID 82865144
2-amino-N-(3-chloro-4-nitrophenyl)-5-methylbenzamide
CID 82865772
2-anilino-N-(3-chloro-4-nitrophenyl)acetamide
CID 82865777
ethyl N-[4-(ethylamino)-2-nitrophenyl]carbamate
CID 144511742
2-amino-N-(3-chloro-4-nitrophenyl)-3,3-dimethylbutanamide
CID 112555883
ethyl N-[4-(4-nitrophenyl)phenyl]carbamate
CID 139700668
N-(3-chloro-4-nitrophenyl)-2-methyl-2-(methylamino)propanamide
CID 82864476
ethyl N-(2-chloro-5-nitrophenyl)carbamate
CID 766427

Frequently Asked Questions

What is the IUPAC name of ethyl N-(3-chloro-4-nitrophenyl)carbamate?
The IUPAC name of ethyl N-(3-chloro-4-nitrophenyl)carbamate (CID 22921588) is ethyl N-(3-chloro-4-nitrophenyl)carbamate.
What is the SMILES notation for ethyl N-(3-chloro-4-nitrophenyl)carbamate?
The canonical SMILES for ethyl N-(3-chloro-4-nitrophenyl)carbamate is CCOC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1.
What is the InChIKey of ethyl N-(3-chloro-4-nitrophenyl)carbamate?
The InChIKey is FVKPSWPLXYBBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O4/c1-2-16-9(13)11-6-3-4-8(12(14)15)7(10)5-6/h3-5H,2H2,1H3,(H,11,13).
What are the key properties of ethyl N-(3-chloro-4-nitrophenyl)carbamate?
ethyl N-(3-chloro-4-nitrophenyl)carbamate has a molecular weight of 244.63 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3-chloro-4-nitrophenyl)carbamate is sourced from PubChem (CID 22921588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).