(2,2-dichlorocyclopropyl)methyl N-[3-(2-chloro-4-fluorophenyl)prop-2-enoylamino]carbamate

C14H12Cl3FN2O3 — CID 6710989

IUPAC(2,2-dichlorocyclopropyl)methyl N-[3-(2-chloro-4-fluorophenyl)prop-2-enoylamino]carbamate
SMILESO=C(C=Cc1ccc(F)cc1Cl)NNC(=O)OCC1CC1(Cl)Cl
InChIInChI=1S/C14H12Cl3FN2O3/c15-11-5-10(18)3-1-8(11)2-4-12(21)19-20-13(22)23-7-9-6-14(9,16)17/h1-5,9H,6-7H2,(H,19,21)(H,20,22)
InChIKeyOIAXZDDTKRVNHQ-UHFFFAOYSA-N
MW381.62 g/mol
LogP3.44
Rot. Bonds4

About (2,2-dichlorocyclopropyl)methyl N-[3-(2-chloro-4-fluorophenyl)prop-2-enoylamino]carbamate

(2,2-dichlorocyclopropyl)methyl N-[3-(2-chloro-4-fluorophenyl)prop-2-enoylamino]carbamate (PubChem CID 6710989) has the molecular formula C14H12Cl3FN2O3 and a molecular weight of 381.62 g/mol. Its IUPAC name is (2,2-dichlorocyclopropyl)methyl N-[3-(2-chloro-4-fluorophenyl)prop-2-enoylamino]carbamate.

Molecular Properties

Compound Name(2,2-dichlorocyclopropyl)methyl N-[3-(2-chloro-4-fluorophenyl)prop-2-enoylamino]carbamate
PubChem CID6710989
Molecular FormulaC14H12Cl3FN2O3
Molecular Weight381.62 g/mol
Exact Mass379.99
IUPAC Name(2,2-dichlorocyclopropyl)methyl N-[3-(2-chloro-4-fluorophenyl)prop-2-enoylamino]carbamate
SMILESO=C(C=Cc1ccc(F)cc1Cl)NNC(=O)OCC1CC1(Cl)Cl
InChIInChI=1S/C14H12Cl3FN2O3/c15-11-5-10(18)3-1-8(11)2-4-12(21)19-20-13(22)23-7-9-6-14(9,16)17/h1-5,9H,6-7H2,(H,19,21)(H,20,22)
InChIKeyOIAXZDDTKRVNHQ-UHFFFAOYSA-N
XLogP3.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.62
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2,2-dichlorocyclopropyl)methyl N-[3-(2-chloro-4-fluorophenyl)prop-2-enoylamino]carbamate 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

2-(3-fluorophenyl)ethyl N-[[(E)-3-(2-chloro-4-fluorophenyl)prop-2-enoyl]amino]carbamate
CID 45109530
2-(4-bromophenyl)ethyl N-[3-(2-chloro-4-fluorophenyl)prop-2-enoylamino]carbamate
CID 6734363
(E)-3-[2-chloro-4-(3-fluorophenyl)phenyl]-N-hydroxyprop-2-enamide
CID 70692229
3-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
CID 887747
benzyl N-[4-(2-chloro-4-fluorophenyl)but-3-enyl]carbamate
CID 170493581
(E)-3-[3-chloro-4-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide
CID 11508464
(E)-N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-chloro-4-fluorophenyl)prop-2-enamide
CID 20744362
(E)-3-(2-chloro-4-fluorophenyl)-N-[1-(5-oxohexyl)pyrazol-3-yl]prop-2-enamide
CID 66928913
(E)-3-[4-[(E)-2-(2-chloro-4-fluorophenyl)ethenyl]phenyl]prop-2-enoic acid
CID 150662250
(E)-3-(2,4-dichlorophenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 872620
3-(2-chloro-4-fluorophenyl)-N-methylprop-2-en-1-amine
CID 169473168
3-[2-(2-chloro-4-fluorophenoxy)-5-fluorophenyl]prop-2-enoic acid
CID 77000074

Frequently Asked Questions

What is the IUPAC name of (2,2-dichlorocyclopropyl)methyl N-[3-(2-chloro-4-fluorophenyl)prop-2-enoylamino]carbamate?
The IUPAC name of (2,2-dichlorocyclopropyl)methyl N-[3-(2-chloro-4-fluorophenyl)prop-2-enoylamino]carbamate (CID 6710989) is (2,2-dichlorocyclopropyl)methyl N-[3-(2-chloro-4-fluorophenyl)prop-2-enoylamino]carbamate.
What is the SMILES notation for (2,2-dichlorocyclopropyl)methyl N-[3-(2-chloro-4-fluorophenyl)prop-2-enoylamino]carbamate?
The canonical SMILES for (2,2-dichlorocyclopropyl)methyl N-[3-(2-chloro-4-fluorophenyl)prop-2-enoylamino]carbamate is O=C(C=Cc1ccc(F)cc1Cl)NNC(=O)OCC1CC1(Cl)Cl.
What is the InChIKey of (2,2-dichlorocyclopropyl)methyl N-[3-(2-chloro-4-fluorophenyl)prop-2-enoylamino]carbamate?
The InChIKey is OIAXZDDTKRVNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3FN2O3/c15-11-5-10(18)3-1-8(11)2-4-12(21)19-20-13(22)23-7-9-6-14(9,16)17/h1-5,9H,6-7H2,(H,19,21)(H,20,22).
What are the key properties of (2,2-dichlorocyclopropyl)methyl N-[3-(2-chloro-4-fluorophenyl)prop-2-enoylamino]carbamate?
(2,2-dichlorocyclopropyl)methyl N-[3-(2-chloro-4-fluorophenyl)prop-2-enoylamino]carbamate has a molecular weight of 381.62 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dichlorocyclopropyl)methyl N-[3-(2-chloro-4-fluorophenyl)prop-2-enoylamino]carbamate is sourced from PubChem (CID 6710989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).