(4R,5S)-4-[3-(4-chlorophenoxy)phenyl]-6-methylidene-2-oxo-N-phenyl-1,3-diazinane-5-carboxamide

C24H20ClN3O3 — CID 2365905

IUPAC(4R,5S)-4-[3-(4-chlorophenoxy)phenyl]-6-methylidene-2-oxo-N-phenyl-1,3-diazinane-5-carboxamide
SMILESC=C1NC(=O)N[C@@H](c2cccc(Oc3ccc(Cl)cc3)c2)[C@@H]1C(=O)Nc1ccccc1
InChIInChI=1S/C24H20ClN3O3/c1-15-21(23(29)27-18-7-3-2-4-8-18)22(28-24(30)26-15)16-6-5-9-20(14-16)31-19-12-10-17(25)11-13-19/h2-14,21-22H,1H2,(H,27,29)(H2,26,28,30)/t21-,22+/m1/s1
InChIKeyRGVHTMNEEBERLY-YADHBBJMSA-N
MW433.90 g/mol
LogP5.25
Rot. Bonds5

About (4R,5S)-4-[3-(4-chlorophenoxy)phenyl]-6-methylidene-2-oxo-N-phenyl-1,3-diazinane-5-carboxamide

(4R,5S)-4-[3-(4-chlorophenoxy)phenyl]-6-methylidene-2-oxo-N-phenyl-1,3-diazinane-5-carboxamide (PubChem CID 2365905) has the molecular formula C24H20ClN3O3 and a molecular weight of 433.90 g/mol. Its IUPAC name is (4R,5S)-4-[3-(4-chlorophenoxy)phenyl]-6-methylidene-2-oxo-N-phenyl-1,3-diazinane-5-carboxamide.

Molecular Properties

Compound Name(4R,5S)-4-[3-(4-chlorophenoxy)phenyl]-6-methylidene-2-oxo-N-phenyl-1,3-diazinane-5-carboxamide
PubChem CID2365905
Molecular FormulaC24H20ClN3O3
Molecular Weight433.90 g/mol
Exact Mass433.12
IUPAC Name(4R,5S)-4-[3-(4-chlorophenoxy)phenyl]-6-methylidene-2-oxo-N-phenyl-1,3-diazinane-5-carboxamide
SMILESC=C1NC(=O)N[C@@H](c2cccc(Oc3ccc(Cl)cc3)c2)[C@@H]1C(=O)Nc1ccccc1
InChIInChI=1S/C24H20ClN3O3/c1-15-21(23(29)27-18-7-3-2-4-8-18)22(28-24(30)26-15)16-6-5-9-20(14-16)31-19-12-10-17(25)11-13-19/h2-14,21-22H,1H2,(H,27,29)(H2,26,28,30)/t21-,22+/m1/s1
InChIKeyRGVHTMNEEBERLY-YADHBBJMSA-N
XLogP5.25
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.90
LogP ≤ 55.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (4R,5S)-4-[3-(4-chlorophenoxy)phenyl]-6-methylidene-2-oxo-N-phenyl-1,3-diazinane-5-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

(4R,5S)-4-(4-ethoxyphenyl)-6-methylidene-2-oxo-N-phenyl-1,3-diazinane-5-carboxamide
CID 2301558
(4R,5S)-4-[4-(difluoromethoxy)phenyl]-6-methylidene-2-oxo-N-phenyl-1,3-diazinane-5-carboxamide
CID 2424674
(5S,6R)-N-(3-chlorophenyl)-4-methylidene-6-(3-nitrophenyl)-2-oxo-1,3-diazinane-5-carboxamide
CID 2391798
(5S,6S)-4-methylidene-2-oxo-N,6-bis[3-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide
CID 2389742
(4S,5R)-4-(3,4-dichlorophenyl)-6-methylidene-N-(3-nitrophenyl)-2-oxo-1,3-diazinane-5-carboxamide
CID 2382008
5-(3-phenoxyphenyl)-N-phenyl-3-propan-2-yl-4,5-dihydro-1H-pyrazole-4-carboxamide
CID 46217403
(4S,5S)-4-(3-bromophenyl)-6-methylidene-N-(3-nitrophenyl)-2-oxo-1,3-diazinane-5-carboxamide
CID 2379759
(5R,6S)-5-benzoyl-4-methylidene-6-(3-phenylmethoxyphenyl)-1,3-diazinan-2-one
CID 2427856
(4R,5S)-4-(3-bromophenyl)-5-(4-chlorobenzoyl)-6-methylidene-1,3-diazinan-2-one
CID 2368097
(4S,5R)-4-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)-6-methylidene-2-oxo-N-phenyl-1,3-diazinane-5-carboxamide
CID 2237094
(4R,5S)-4-(2,4-dichlorophenyl)-6-methylidene-N-(3-nitrophenyl)-2-oxo-1,3-diazinane-5-carboxamide
CID 2372008
2-phenylethyl 4-(3-methoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate
CID 3321046

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-[3-(4-chlorophenoxy)phenyl]-6-methylidene-2-oxo-N-phenyl-1,3-diazinane-5-carboxamide?
The IUPAC name of (4R,5S)-4-[3-(4-chlorophenoxy)phenyl]-6-methylidene-2-oxo-N-phenyl-1,3-diazinane-5-carboxamide (CID 2365905) is (4R,5S)-4-[3-(4-chlorophenoxy)phenyl]-6-methylidene-2-oxo-N-phenyl-1,3-diazinane-5-carboxamide.
What is the SMILES notation for (4R,5S)-4-[3-(4-chlorophenoxy)phenyl]-6-methylidene-2-oxo-N-phenyl-1,3-diazinane-5-carboxamide?
The canonical SMILES for (4R,5S)-4-[3-(4-chlorophenoxy)phenyl]-6-methylidene-2-oxo-N-phenyl-1,3-diazinane-5-carboxamide is C=C1NC(=O)N[C@@H](c2cccc(Oc3ccc(Cl)cc3)c2)[C@@H]1C(=O)Nc1ccccc1.
What is the InChIKey of (4R,5S)-4-[3-(4-chlorophenoxy)phenyl]-6-methylidene-2-oxo-N-phenyl-1,3-diazinane-5-carboxamide?
The InChIKey is RGVHTMNEEBERLY-YADHBBJMSA-N. The full InChI is InChI=1S/C24H20ClN3O3/c1-15-21(23(29)27-18-7-3-2-4-8-18)22(28-24(30)26-15)16-6-5-9-20(14-16)31-19-12-10-17(25)11-13-19/h2-14,21-22H,1H2,(H,27,29)(H2,26,28,30)/t21-,22+/m1/s1.
What are the key properties of (4R,5S)-4-[3-(4-chlorophenoxy)phenyl]-6-methylidene-2-oxo-N-phenyl-1,3-diazinane-5-carboxamide?
(4R,5S)-4-[3-(4-chlorophenoxy)phenyl]-6-methylidene-2-oxo-N-phenyl-1,3-diazinane-5-carboxamide has a molecular weight of 433.90 g/mol, XLogP of 5.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-[3-(4-chlorophenoxy)phenyl]-6-methylidene-2-oxo-N-phenyl-1,3-diazinane-5-carboxamide is sourced from PubChem (CID 2365905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).