N-[(4-chloro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide

C19H16Cl2FN3O2 — CID 162509760

IUPACN-[(4-chloro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NCC(C(=O)NC(c2ccc(F)c(Cl)c2)C2Cc3ccc(Cl)cc32)N1
InChIInChI=1S/C19H16Cl2FN3O2/c20-11-3-1-9-5-13(12(9)7-11)17(10-2-4-15(22)14(21)6-10)25-18(26)16-8-23-19(27)24-16/h1-4,6-7,13,16-17H,5,8H2,(H,25,26)(H2,23,24,27)
InChIKeyYUSKXWREGJKPNK-UHFFFAOYSA-N
MW408.26 g/mol
LogP3.31
Rot. Bonds4

About N-[(4-chloro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide

N-[(4-chloro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 162509760) has the molecular formula C19H16Cl2FN3O2 and a molecular weight of 408.26 g/mol. Its IUPAC name is N-[(4-chloro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chloro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID162509760
Molecular FormulaC19H16Cl2FN3O2
Molecular Weight408.26 g/mol
Exact Mass407.06
IUPAC NameN-[(4-chloro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NCC(C(=O)NC(c2ccc(F)c(Cl)c2)C2Cc3ccc(Cl)cc32)N1
InChIInChI=1S/C19H16Cl2FN3O2/c20-11-3-1-9-5-13(12(9)7-11)17(10-2-4-15(22)14(21)6-10)25-18(26)16-8-23-19(27)24-16/h1-4,6-7,13,16-17H,5,8H2,(H,25,26)(H2,23,24,27)
InChIKeyYUSKXWREGJKPNK-UHFFFAOYSA-N
XLogP3.31
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.26
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-[(4-chloro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide 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

(4S)-N-[(S)-(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 162520848
(4S)-N-[2-(3-chloro-4-fluorophenoxy)-1-(3-chloro-4-fluorophenyl)ethyl]-2-oxoimidazolidine-4-carboxamide
CID 162509714
(4S)-N-[(R)-(4-chlorophenyl)-phenylmethyl]-2-oxoimidazolidine-4-carboxamide
CID 97081299
N-[(S)-1,3-benzothiazol-2-yl-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 175417212
(4S)-N-[(S)-1,3-benzothiazol-2-yl-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 162520888
(4S)-N-[(R)-(3-chloro-4-fluorophenyl)-(6-cyano-2-pyridinyl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 175417242
(4S)-N-[(R)-(4-chlorophenyl)-[5-fluoro-4-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 162520836
(4S)-N-[(4-chlorophenyl)-(2,2-dimethylpiperidin-4-yl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 162520917
(4S)-N-[(S)-(4-chlorophenyl)-pyrazolo[1,5-a]pyridin-5-ylmethyl]-2-oxoimidazolidine-4-carboxamide
CID 162520803
(4R)-N-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 97079177
(4S)-N-[(1S)-1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-oxoimidazolidine-4-carboxamide
CID 97070023
(5S)-N-[(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 162520581

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of N-[(4-chloro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide (CID 162509760) is N-[(4-chloro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for N-[(4-chloro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for N-[(4-chloro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide is O=C1NCC(C(=O)NC(c2ccc(F)c(Cl)c2)C2Cc3ccc(Cl)cc32)N1.
What is the InChIKey of N-[(4-chloro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is YUSKXWREGJKPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2FN3O2/c20-11-3-1-9-5-13(12(9)7-11)17(10-2-4-15(22)14(21)6-10)25-18(26)16-8-23-19(27)24-16/h1-4,6-7,13,16-17H,5,8H2,(H,25,26)(H2,23,24,27).
What are the key properties of N-[(4-chloro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide?
N-[(4-chloro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 408.26 g/mol, XLogP of 3.31, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 162509760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).