N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-2-oxo-1-(pyridin-2-ylmethyl)imidazolidine-4-carboxamide

C18H17ClF2N4O2 — CID 25096470

IUPACN-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-2-oxo-1-(pyridin-2-ylmethyl)imidazolidine-4-carboxamide
SMILESCN1C(=O)N(Cc2ccccn2)CC1C(=O)NCc1ccc(F)c(F)c1Cl
InChIInChI=1S/C18H17ClF2N4O2/c1-24-14(10-25(18(24)27)9-12-4-2-3-7-22-12)17(26)23-8-11-5-6-13(20)16(21)15(11)19/h2-7,14H,8-10H2,1H3,(H,23,26)
InChIKeyRNNCOPSGNGGWHA-UHFFFAOYSA-N
MW394.81 g/mol
LogP2.57
Rot. Bonds5

About N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-2-oxo-1-(pyridin-2-ylmethyl)imidazolidine-4-carboxamide

N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-2-oxo-1-(pyridin-2-ylmethyl)imidazolidine-4-carboxamide (PubChem CID 25096470) has the molecular formula C18H17ClF2N4O2 and a molecular weight of 394.81 g/mol. Its IUPAC name is N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-2-oxo-1-(pyridin-2-ylmethyl)imidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-2-oxo-1-(pyridin-2-ylmethyl)imidazolidine-4-carboxamide
PubChem CID25096470
Molecular FormulaC18H17ClF2N4O2
Molecular Weight394.81 g/mol
Exact Mass394.10
IUPAC NameN-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-2-oxo-1-(pyridin-2-ylmethyl)imidazolidine-4-carboxamide
SMILESCN1C(=O)N(Cc2ccccn2)CC1C(=O)NCc1ccc(F)c(F)c1Cl
InChIInChI=1S/C18H17ClF2N4O2/c1-24-14(10-25(18(24)27)9-12-4-2-3-7-22-12)17(26)23-8-11-5-6-13(20)16(21)15(11)19/h2-7,14H,8-10H2,1H3,(H,23,26)
InChIKeyRNNCOPSGNGGWHA-UHFFFAOYSA-N
XLogP2.57
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.81
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-2-oxo-1-(pyridin-2-ylmethyl)imidazolidine-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

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-2-oxo-1-(pyridin-2-ylmethyl)imidazolidine-4-carboxamide?
The IUPAC name of N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-2-oxo-1-(pyridin-2-ylmethyl)imidazolidine-4-carboxamide (CID 25096470) is N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-2-oxo-1-(pyridin-2-ylmethyl)imidazolidine-4-carboxamide.
What is the SMILES notation for N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-2-oxo-1-(pyridin-2-ylmethyl)imidazolidine-4-carboxamide?
The canonical SMILES for N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-2-oxo-1-(pyridin-2-ylmethyl)imidazolidine-4-carboxamide is CN1C(=O)N(Cc2ccccn2)CC1C(=O)NCc1ccc(F)c(F)c1Cl.
What is the InChIKey of N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-2-oxo-1-(pyridin-2-ylmethyl)imidazolidine-4-carboxamide?
The InChIKey is RNNCOPSGNGGWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2N4O2/c1-24-14(10-25(18(24)27)9-12-4-2-3-7-22-12)17(26)23-8-11-5-6-13(20)16(21)15(11)19/h2-7,14H,8-10H2,1H3,(H,23,26).
What are the key properties of N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-2-oxo-1-(pyridin-2-ylmethyl)imidazolidine-4-carboxamide?
N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-2-oxo-1-(pyridin-2-ylmethyl)imidazolidine-4-carboxamide has a molecular weight of 394.81 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3,4-difluorophenyl)methyl]-3-methyl-2-oxo-1-(pyridin-2-ylmethyl)imidazolidine-4-carboxamide is sourced from PubChem (CID 25096470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).