N-(3-chloro-4-fluorophenyl)-2-[2-(4-fluorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide

C22H15ClF2N4O2 — CID 53035738

IUPACN-(3-chloro-4-fluorophenyl)-2-[2-(4-fluorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide
SMILESO=C(CN1C(=O)CC(c2ccc(F)cc2)=Nc2cccnc21)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C22H15ClF2N4O2/c23-16-10-15(7-8-17(16)25)27-20(30)12-29-21(31)11-19(13-3-5-14(24)6-4-13)28-18-2-1-9-26-22(18)29/h1-10H,11-12H2,(H,27,30)
InChIKeyUHCYHWAEDUMMOE-UHFFFAOYSA-N
MW440.84 g/mol
LogP4.51
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-2-[2-(4-fluorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide

N-(3-chloro-4-fluorophenyl)-2-[2-(4-fluorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide (PubChem CID 53035738) has the molecular formula C22H15ClF2N4O2 and a molecular weight of 440.84 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[2-(4-fluorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[2-(4-fluorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide
PubChem CID53035738
Molecular FormulaC22H15ClF2N4O2
Molecular Weight440.84 g/mol
Exact Mass440.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[2-(4-fluorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide
SMILESO=C(CN1C(=O)CC(c2ccc(F)cc2)=Nc2cccnc21)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C22H15ClF2N4O2/c23-16-10-15(7-8-17(16)25)27-20(30)12-29-21(31)11-19(13-3-5-14(24)6-4-13)28-18-2-1-9-26-22(18)29/h1-10H,11-12H2,(H,27,30)
InChIKeyUHCYHWAEDUMMOE-UHFFFAOYSA-N
XLogP4.51
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.84
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-chlorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 53010690
2-[2-(3,4-dimethylphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 53035820
2-[2-(4-ethylphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 53035802
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[2-(4-fluorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide
CID 53109313
2-[2-(3-chlorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-phenylacetamide
CID 53035751
N-(4-chlorophenyl)-2-[4-(4-fluorophenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide
CID 46342411
2-[2-(3,4-dimethylphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(3-fluorophenyl)acetamide
CID 53035815
N-(3,4-dimethylphenyl)-2-[2-(4-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide
CID 53035704
N-(3-ethylphenyl)-2-[2-(4-methylphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide
CID 53035710
N-(5-chloro-2-methylphenyl)-2-[2-(4-ethylphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide
CID 53035799
2-[2-(4-methoxyphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 53109283
N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-ethylphenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide
CID 53010699

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[2-(4-fluorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[2-(4-fluorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide (CID 53035738) is N-(3-chloro-4-fluorophenyl)-2-[2-(4-fluorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[2-(4-fluorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[2-(4-fluorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide is O=C(CN1C(=O)CC(c2ccc(F)cc2)=Nc2cccnc21)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[2-(4-fluorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide?
The InChIKey is UHCYHWAEDUMMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF2N4O2/c23-16-10-15(7-8-17(16)25)27-20(30)12-29-21(31)11-19(13-3-5-14(24)6-4-13)28-18-2-1-9-26-22(18)29/h1-10H,11-12H2,(H,27,30).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[2-(4-fluorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[2-(4-fluorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide has a molecular weight of 440.84 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[2-(4-fluorophenyl)-4-oxo-3H-pyrido[2,3-b][1,4]diazepin-5-yl]acetamide is sourced from PubChem (CID 53035738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).