(2,3-dichlorophenyl) N-(4-chloro-3-nitrophenyl)carbamate

C13H7Cl3N2O4 — CID 3391837

IUPAC(2,3-dichlorophenyl) N-(4-chloro-3-nitrophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)Oc1cccc(Cl)c1Cl
InChIInChI=1S/C13H7Cl3N2O4/c14-8-5-4-7(6-10(8)18(20)21)17-13(19)22-11-3-1-2-9(15)12(11)16/h1-6H,(H,17,19)
InChIKeyFHIKQELVZXCVSL-UHFFFAOYSA-N
MW361.57 g/mol
LogP5.17
Rot. Bonds3

About (2,3-dichlorophenyl) N-(4-chloro-3-nitrophenyl)carbamate

(2,3-dichlorophenyl) N-(4-chloro-3-nitrophenyl)carbamate (PubChem CID 3391837) has the molecular formula C13H7Cl3N2O4 and a molecular weight of 361.57 g/mol. Its IUPAC name is (2,3-dichlorophenyl) N-(4-chloro-3-nitrophenyl)carbamate.

Molecular Properties

Compound Name(2,3-dichlorophenyl) N-(4-chloro-3-nitrophenyl)carbamate
PubChem CID3391837
Molecular FormulaC13H7Cl3N2O4
Molecular Weight361.57 g/mol
Exact Mass359.95
IUPAC Name(2,3-dichlorophenyl) N-(4-chloro-3-nitrophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)Oc1cccc(Cl)c1Cl
InChIInChI=1S/C13H7Cl3N2O4/c14-8-5-4-7(6-10(8)18(20)21)17-13(19)22-11-3-1-2-9(15)12(11)16/h1-6H,(H,17,19)
InChIKeyFHIKQELVZXCVSL-UHFFFAOYSA-N
XLogP5.17
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.57
LogP ≤ 55.17
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

quinolin-8-yl N-(4-chloro-3-nitrophenyl)carbamate
CID 5141993
N-(4-chloro-3-nitrophenyl)-N'-(2,3-dichlorophenyl)oxamide
CID 108500702
N-(4-chloro-3-nitrophenyl)-N'-(2,6-dichlorophenyl)oxamide
CID 108512848
N,N'-bis(4-chloro-3-nitrophenyl)butanediamide
CID 3339507
1-(4-chloro-3-nitrophenyl)-3-(2-methoxyphenyl)urea
CID 108866532
methyl 2-(4-chloro-3-nitroanilino)-2-oxoacetate
CID 103601678
1-(4-chloro-3-nitrophenyl)-3-methylurea
CID 47173770
N-(4-chloro-3-nitrophenyl)-2-(3-chlorophenoxy)propanamide
CID 5206007
ethyl N-[3-[2-(4-chloro-3-nitroanilino)-2-oxoethoxy]phenyl]carbamate
CID 29183038
1-(4-chloro-3-nitrophenyl)-3-[(2-ethylphenoxy)methyl]urea
CID 108893257
N-(4-chloro-3-nitrophenyl)-2-(2-nitrophenoxy)-2-phenylacetamide
CID 18268134
4-(4-chloro-3-nitroanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991515

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl) N-(4-chloro-3-nitrophenyl)carbamate?
The IUPAC name of (2,3-dichlorophenyl) N-(4-chloro-3-nitrophenyl)carbamate (CID 3391837) is (2,3-dichlorophenyl) N-(4-chloro-3-nitrophenyl)carbamate.
What is the SMILES notation for (2,3-dichlorophenyl) N-(4-chloro-3-nitrophenyl)carbamate?
The canonical SMILES for (2,3-dichlorophenyl) N-(4-chloro-3-nitrophenyl)carbamate is O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)Oc1cccc(Cl)c1Cl.
What is the InChIKey of (2,3-dichlorophenyl) N-(4-chloro-3-nitrophenyl)carbamate?
The InChIKey is FHIKQELVZXCVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3N2O4/c14-8-5-4-7(6-10(8)18(20)21)17-13(19)22-11-3-1-2-9(15)12(11)16/h1-6H,(H,17,19).
What are the key properties of (2,3-dichlorophenyl) N-(4-chloro-3-nitrophenyl)carbamate?
(2,3-dichlorophenyl) N-(4-chloro-3-nitrophenyl)carbamate has a molecular weight of 361.57 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl) N-(4-chloro-3-nitrophenyl)carbamate is sourced from PubChem (CID 3391837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).