N-(2-chloro-4-nitrophenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide

C20H20ClN3O4 — CID 55470406

IUPACN-(2-chloro-4-nitrophenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C20H20ClN3O4/c1-13(20(26)22-19-7-4-16(24(27)28)12-18(19)21)23-10-8-15(9-11-23)14-2-5-17(25)6-3-14/h2-8,12-13,25H,9-11H2,1H3,(H,22,26)
InChIKeyVOIHKHRTFHWZGW-UHFFFAOYSA-N
MW401.85 g/mol
LogP4.07
Rot. Bonds5

About N-(2-chloro-4-nitrophenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide

N-(2-chloro-4-nitrophenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide (PubChem CID 55470406) has the molecular formula C20H20ClN3O4 and a molecular weight of 401.85 g/mol. Its IUPAC name is N-(2-chloro-4-nitrophenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-chloro-4-nitrophenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
PubChem CID55470406
Molecular FormulaC20H20ClN3O4
Molecular Weight401.85 g/mol
Exact Mass401.11
IUPAC NameN-(2-chloro-4-nitrophenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C20H20ClN3O4/c1-13(20(26)22-19-7-4-16(24(27)28)12-18(19)21)23-10-8-15(9-11-23)14-2-5-17(25)6-3-14/h2-8,12-13,25H,9-11H2,1H3,(H,22,26)
InChIKeyVOIHKHRTFHWZGW-UHFFFAOYSA-N
XLogP4.07
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dimethylphenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
CID 51282418
N-(2-chloro-4-nitrophenyl)-2-(4-hydroxypiperidin-1-yl)propanamide
CID 46801980
2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 18125111
N-(2-chloro-4-nitrophenyl)-2-methylpropanamide
CID 3512908
N-(2-chloro-4-nitrophenyl)-2-(methylamino)propanamide
CID 60638642
2-amino-N-(2-chloro-4-nitrophenyl)propanamide
CID 43218156
(2S)-N-(2,4-difluorophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide
CID 9495119
N-(2-chloro-4-nitrophenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide
CID 42931721
N-(2-chloro-4-nitrophenyl)-2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]propanamide
CID 55601018
(2R)-N-(2-cyanophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide
CID 8513088
N-(1-cyanocyclohexyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
CID 51282378
N-(2-chloro-4-nitrophenyl)-2,2-difluoroacetamide
CID 103514907

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitrophenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide?
The IUPAC name of N-(2-chloro-4-nitrophenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide (CID 55470406) is N-(2-chloro-4-nitrophenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide.
What is the SMILES notation for N-(2-chloro-4-nitrophenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide?
The canonical SMILES for N-(2-chloro-4-nitrophenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide is CC(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC=C(c2ccc(O)cc2)CC1.
What is the InChIKey of N-(2-chloro-4-nitrophenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide?
The InChIKey is VOIHKHRTFHWZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O4/c1-13(20(26)22-19-7-4-16(24(27)28)12-18(19)21)23-10-8-15(9-11-23)14-2-5-17(25)6-3-14/h2-8,12-13,25H,9-11H2,1H3,(H,22,26).
What are the key properties of N-(2-chloro-4-nitrophenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide?
N-(2-chloro-4-nitrophenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide has a molecular weight of 401.85 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-nitrophenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide is sourced from PubChem (CID 55470406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).