N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylbenzamide;formaldehyde;methanol;4-methylmorpholine

C26H32ClN3O4 — CID 143831215

IUPACN-(4-chloro-3-pyridin-2-ylphenyl)-4-methylbenzamide;formaldehyde;methanol;4-methylmorpholine
SMILESC=O.CN1CCOCC1.CO.Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1
InChIInChI=1S/C19H15ClN2O.C5H11NO.CH4O.CH2O/c1-13-5-7-14(8-6-13)19(23)22-15-9-10-17(20)16(12-15)18-4-2-3-11-21-18;1-6-2-4-7-5-3-6;2*1-2/h2-12H,1H3,(H,22,23);2-5H2,1H3;2H,1H3;1H2
InChIKeyUUOYCDGRDFUQAL-UHFFFAOYSA-N
MW486.01 g/mol
LogP4.33
Rot. Bonds3

About N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylbenzamide;formaldehyde;methanol;4-methylmorpholine

N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylbenzamide;formaldehyde;methanol;4-methylmorpholine (PubChem CID 143831215) has the molecular formula C26H32ClN3O4 and a molecular weight of 486.01 g/mol. Its IUPAC name is N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylbenzamide;formaldehyde;methanol;4-methylmorpholine.

Molecular Properties

Compound NameN-(4-chloro-3-pyridin-2-ylphenyl)-4-methylbenzamide;formaldehyde;methanol;4-methylmorpholine
PubChem CID143831215
Molecular FormulaC26H32ClN3O4
Molecular Weight486.01 g/mol
Exact Mass485.21
IUPAC NameN-(4-chloro-3-pyridin-2-ylphenyl)-4-methylbenzamide;formaldehyde;methanol;4-methylmorpholine
SMILESC=O.CN1CCOCC1.CO.Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1
InChIInChI=1S/C19H15ClN2O.C5H11NO.CH4O.CH2O/c1-13-5-7-14(8-6-13)19(23)22-15-9-10-17(20)16(12-15)18-4-2-3-11-21-18;1-6-2-4-7-5-3-6;2*1-2/h2-12H,1H3,(H,22,23);2-5H2,1H3;2H,1H3;1H2
InChIKeyUUOYCDGRDFUQAL-UHFFFAOYSA-N
XLogP4.33
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.01
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]benzoic acid
CID 66877887
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carboximidoyl)benzamide
CID 58614840
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(morpholine-4-carboximidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperidine-1-carboximidoyl)benzamide
CID 161194987
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methyl-2-oxopiperazin-1-yl)benzamide
CID 58614668
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 90130539
4-(aminomethyl)-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide
CID 66877992
1-[4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]ethyl-oxosulfanium
CID 174102017
[4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]methylcarbamic acid
CID 141316203
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperidine-1-carboximidoyl)benzamide
CID 58614731
N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-(piperazine-1-carbonyl)benzamide
CID 170123949
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methylsulfonylethyl)benzamide
CID 66878311
4-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;bis(2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide);2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)benzamide
CID 158152681

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylbenzamide;formaldehyde;methanol;4-methylmorpholine?
The IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylbenzamide;formaldehyde;methanol;4-methylmorpholine (CID 143831215) is N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylbenzamide;formaldehyde;methanol;4-methylmorpholine.
What is the SMILES notation for N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylbenzamide;formaldehyde;methanol;4-methylmorpholine?
The canonical SMILES for N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylbenzamide;formaldehyde;methanol;4-methylmorpholine is C=O.CN1CCOCC1.CO.Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1.
What is the InChIKey of N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylbenzamide;formaldehyde;methanol;4-methylmorpholine?
The InChIKey is UUOYCDGRDFUQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O.C5H11NO.CH4O.CH2O/c1-13-5-7-14(8-6-13)19(23)22-15-9-10-17(20)16(12-15)18-4-2-3-11-21-18;1-6-2-4-7-5-3-6;2*1-2/h2-12H,1H3,(H,22,23);2-5H2,1H3;2H,1H3;1H2.
What are the key properties of N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylbenzamide;formaldehyde;methanol;4-methylmorpholine?
N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylbenzamide;formaldehyde;methanol;4-methylmorpholine has a molecular weight of 486.01 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylbenzamide;formaldehyde;methanol;4-methylmorpholine is sourced from PubChem (CID 143831215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).