(2-chloro-4-nitrophenyl) N-(5-chloro-2,4-dimethoxyphenyl)carbamate

C15H12Cl2N2O6 — CID 4121365

IUPAC(2-chloro-4-nitrophenyl) N-(5-chloro-2,4-dimethoxyphenyl)carbamate
SMILESCOc1cc(OC)c(NC(=O)Oc2ccc([N+](=O)[O-])cc2Cl)cc1Cl
InChIInChI=1S/C15H12Cl2N2O6/c1-23-13-7-14(24-2)11(6-10(13)17)18-15(20)25-12-4-3-8(19(21)22)5-9(12)16/h3-7H,1-2H3,(H,18,20)
InChIKeyUJKGJINROAUFHR-UHFFFAOYSA-N
MW387.18 g/mol
LogP4.53
Rot. Bonds5

About (2-chloro-4-nitrophenyl) N-(5-chloro-2,4-dimethoxyphenyl)carbamate

(2-chloro-4-nitrophenyl) N-(5-chloro-2,4-dimethoxyphenyl)carbamate (PubChem CID 4121365) has the molecular formula C15H12Cl2N2O6 and a molecular weight of 387.18 g/mol. Its IUPAC name is (2-chloro-4-nitrophenyl) N-(5-chloro-2,4-dimethoxyphenyl)carbamate.

Molecular Properties

Compound Name(2-chloro-4-nitrophenyl) N-(5-chloro-2,4-dimethoxyphenyl)carbamate
PubChem CID4121365
Molecular FormulaC15H12Cl2N2O6
Molecular Weight387.18 g/mol
Exact Mass386.01
IUPAC Name(2-chloro-4-nitrophenyl) N-(5-chloro-2,4-dimethoxyphenyl)carbamate
SMILESCOc1cc(OC)c(NC(=O)Oc2ccc([N+](=O)[O-])cc2Cl)cc1Cl
InChIInChI=1S/C15H12Cl2N2O6/c1-23-13-7-14(24-2)11(6-10(13)17)18-15(20)25-12-4-3-8(19(21)22)5-9(12)16/h3-7H,1-2H3,(H,18,20)
InChIKeyUJKGJINROAUFHR-UHFFFAOYSA-N
XLogP4.53
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.18
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

methyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 17173078
phenyl N-(2-methoxy-5-nitrophenyl)carbamate
CID 12941467
methyl N-(2-chloro-4-nitrophenyl)carbamate
CID 5055099
(2-chloro-4-nitrophenyl) acetate
CID 14345185
(5-nitro-2-pyridinyl) N-(4-chloro-2-methoxyphenyl)carbamate
CID 5072040
3-chloro-4-methoxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 2915297
(2S)-N-(2-methoxy-5-nitrophenyl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 2564228
(2R)-N-(2-methoxy-5-nitrophenyl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 2564232
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4-nitrophenyl)urea
CID 108875488
2,2,2-trifluoroethyl N-(2-methoxy-5-nitrophenyl)carbamate
CID 39871460
6-chloro-N-(2-methoxy-5-nitrophenyl)pyrazine-2-carboxamide
CID 107260793
2-(2-chloro-4-nitrophenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 2513285

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-nitrophenyl) N-(5-chloro-2,4-dimethoxyphenyl)carbamate?
The IUPAC name of (2-chloro-4-nitrophenyl) N-(5-chloro-2,4-dimethoxyphenyl)carbamate (CID 4121365) is (2-chloro-4-nitrophenyl) N-(5-chloro-2,4-dimethoxyphenyl)carbamate.
What is the SMILES notation for (2-chloro-4-nitrophenyl) N-(5-chloro-2,4-dimethoxyphenyl)carbamate?
The canonical SMILES for (2-chloro-4-nitrophenyl) N-(5-chloro-2,4-dimethoxyphenyl)carbamate is COc1cc(OC)c(NC(=O)Oc2ccc([N+](=O)[O-])cc2Cl)cc1Cl.
What is the InChIKey of (2-chloro-4-nitrophenyl) N-(5-chloro-2,4-dimethoxyphenyl)carbamate?
The InChIKey is UJKGJINROAUFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O6/c1-23-13-7-14(24-2)11(6-10(13)17)18-15(20)25-12-4-3-8(19(21)22)5-9(12)16/h3-7H,1-2H3,(H,18,20).
What are the key properties of (2-chloro-4-nitrophenyl) N-(5-chloro-2,4-dimethoxyphenyl)carbamate?
(2-chloro-4-nitrophenyl) N-(5-chloro-2,4-dimethoxyphenyl)carbamate has a molecular weight of 387.18 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-nitrophenyl) N-(5-chloro-2,4-dimethoxyphenyl)carbamate is sourced from PubChem (CID 4121365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).