(4-chloro-3-nitrophenyl) carbamate

C7H5ClN2O4 — CID 175197742

IUPAC(4-chloro-3-nitrophenyl) carbamate
SMILESNC(=O)Oc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C7H5ClN2O4/c8-5-2-1-4(14-7(9)11)3-6(5)10(12)13/h1-3H,(H2,9,11)
InChIKeyVBMNFEZCKRLVRB-UHFFFAOYSA-N
MW216.58 g/mol
LogP1.71
Rot. Bonds2

About (4-chloro-3-nitrophenyl) carbamate

(4-chloro-3-nitrophenyl) carbamate (PubChem CID 175197742) has the molecular formula C7H5ClN2O4 and a molecular weight of 216.58 g/mol. Its IUPAC name is (4-chloro-3-nitrophenyl) carbamate.

Molecular Properties

Compound Name(4-chloro-3-nitrophenyl) carbamate
PubChem CID175197742
Molecular FormulaC7H5ClN2O4
Molecular Weight216.58 g/mol
Exact Mass215.99
IUPAC Name(4-chloro-3-nitrophenyl) carbamate
SMILESNC(=O)Oc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C7H5ClN2O4/c8-5-2-1-4(14-7(9)11)3-6(5)10(12)13/h1-3H,(H2,9,11)
InChIKeyVBMNFEZCKRLVRB-UHFFFAOYSA-N
XLogP1.71
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.58
LogP ≤ 51.71
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

4-chloro-3-nitrobenzamide;4-chloro-3-nitrobenzoic acid
CID 162263157
2-chloro-3-(4-chloro-3-nitrophenyl)propanamide
CID 104513124
(3-chloro-4-methylphenyl) carbamate
CID 18431892
methyl 5-(4-chloro-3-nitrophenoxy)pentanoate
CID 161486740
4-chloro-3-nitrobenzohydrazide
CID 3704353
(4-methoxy-2-nitrophenyl) 2-(2-chloro-5-methylphenoxy)propanoate
CID 55792670
4-chloro-2-(4-chloro-3-nitrophenoxy)benzaldehyde
CID 86227851
4-[(1S)-1-(4-bromophenyl)ethoxy]-1-chloro-2-nitrobenzene
CID 124562419
2-[(2-amino-2-oxoethyl)-[(4-chloro-3-nitrophenyl)methyl]amino]acetamide
CID 62923477
4-chloro-N-(4-methoxy-2-nitrophenyl)-3-nitrobenzamide
CID 3101370
N-(4-chloro-3-nitrophenyl)-4-propan-2-yloxybenzamide
CID 3351520
[2-(4-benzoyloxyphenyl)-2-oxoethyl] 4-chloro-3-nitrobenzoate
CID 1298893

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-nitrophenyl) carbamate?
The IUPAC name of (4-chloro-3-nitrophenyl) carbamate (CID 175197742) is (4-chloro-3-nitrophenyl) carbamate.
What is the SMILES notation for (4-chloro-3-nitrophenyl) carbamate?
The canonical SMILES for (4-chloro-3-nitrophenyl) carbamate is NC(=O)Oc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of (4-chloro-3-nitrophenyl) carbamate?
The InChIKey is VBMNFEZCKRLVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O4/c8-5-2-1-4(14-7(9)11)3-6(5)10(12)13/h1-3H,(H2,9,11).
What are the key properties of (4-chloro-3-nitrophenyl) carbamate?
(4-chloro-3-nitrophenyl) carbamate has a molecular weight of 216.58 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-nitrophenyl) carbamate is sourced from PubChem (CID 175197742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).