N-(2-chloro-5-morpholin-4-yl-4-nitrophenyl)-2-methylpropanamide

C14H18ClN3O4 — CID 50881059

IUPACN-(2-chloro-5-morpholin-4-yl-4-nitrophenyl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc(N2CCOCC2)c([N+](=O)[O-])cc1Cl
InChIInChI=1S/C14H18ClN3O4/c1-9(2)14(19)16-11-8-12(17-3-5-22-6-4-17)13(18(20)21)7-10(11)15/h7-9H,3-6H2,1-2H3,(H,16,19)
InChIKeyGDQQHDFCSOYLKB-UHFFFAOYSA-N
MW327.77 g/mol
LogP2.68
Rot. Bonds4

About N-(2-chloro-5-morpholin-4-yl-4-nitrophenyl)-2-methylpropanamide

N-(2-chloro-5-morpholin-4-yl-4-nitrophenyl)-2-methylpropanamide (PubChem CID 50881059) has the molecular formula C14H18ClN3O4 and a molecular weight of 327.77 g/mol. Its IUPAC name is N-(2-chloro-5-morpholin-4-yl-4-nitrophenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-chloro-5-morpholin-4-yl-4-nitrophenyl)-2-methylpropanamide
PubChem CID50881059
Molecular FormulaC14H18ClN3O4
Molecular Weight327.77 g/mol
Exact Mass327.10
IUPAC NameN-(2-chloro-5-morpholin-4-yl-4-nitrophenyl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc(N2CCOCC2)c([N+](=O)[O-])cc1Cl
InChIInChI=1S/C14H18ClN3O4/c1-9(2)14(19)16-11-8-12(17-3-5-22-6-4-17)13(18(20)21)7-10(11)15/h7-9H,3-6H2,1-2H3,(H,16,19)
InChIKeyGDQQHDFCSOYLKB-UHFFFAOYSA-N
XLogP2.68
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 52.68
H-Bond Donors ≤ 51
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-chloro-5-(4-methylpiperidin-1-yl)-4-nitrophenyl]-2-methylpropanamide
CID 50881198
2,4-dichloro-N-(2-chloro-5-morpholin-4-yl-4-nitrophenyl)benzamide
CID 50881444
4-morpholin-4-yl-3-nitro-N-(2,4,5-trichlorophenyl)benzamide
CID 2981236
(2R)-N-(2-chloro-4-nitrophenyl)-2-(4-morpholin-4-ylanilino)propanamide
CID 8023654
N-(2-chloro-4-nitrophenyl)-2-(4-morpholin-4-ylanilino)propanamide
CID 4793201
N-(2-amino-4-methyl-5-morpholin-4-ylphenyl)-2-methylpropanamide
CID 91683940
2-methyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 2767049
4-morpholin-4-yl-5-nitrophthalic acid
CID 4615082
3-chloro-N-(2-chloro-4-nitro-5-pyrrolidin-1-ylphenyl)benzamide
CID 50881453
N-(2-chloro-4-nitrophenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 7339768
5-morpholin-4-yl-2,4-dinitrobenzoic acid
CID 141481199
3-chloro-N-(2-chloro-4-nitro-5-piperidin-1-ylphenyl)benzamide
CID 50881507

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-morpholin-4-yl-4-nitrophenyl)-2-methylpropanamide?
The IUPAC name of N-(2-chloro-5-morpholin-4-yl-4-nitrophenyl)-2-methylpropanamide (CID 50881059) is N-(2-chloro-5-morpholin-4-yl-4-nitrophenyl)-2-methylpropanamide.
What is the SMILES notation for N-(2-chloro-5-morpholin-4-yl-4-nitrophenyl)-2-methylpropanamide?
The canonical SMILES for N-(2-chloro-5-morpholin-4-yl-4-nitrophenyl)-2-methylpropanamide is CC(C)C(=O)Nc1cc(N2CCOCC2)c([N+](=O)[O-])cc1Cl.
What is the InChIKey of N-(2-chloro-5-morpholin-4-yl-4-nitrophenyl)-2-methylpropanamide?
The InChIKey is GDQQHDFCSOYLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O4/c1-9(2)14(19)16-11-8-12(17-3-5-22-6-4-17)13(18(20)21)7-10(11)15/h7-9H,3-6H2,1-2H3,(H,16,19).
What are the key properties of N-(2-chloro-5-morpholin-4-yl-4-nitrophenyl)-2-methylpropanamide?
N-(2-chloro-5-morpholin-4-yl-4-nitrophenyl)-2-methylpropanamide has a molecular weight of 327.77 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-morpholin-4-yl-4-nitrophenyl)-2-methylpropanamide is sourced from PubChem (CID 50881059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).