2-(4-chloro-3-methylphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide

C19H20ClN3O5 — CID 17127202

IUPAC2-(4-chloro-3-methylphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide
SMILESCc1cc(OCC(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1Cl
InChIInChI=1S/C19H20ClN3O5/c1-13-10-15(3-4-16(13)20)28-12-19(24)21-14-2-5-17(18(11-14)23(25)26)22-6-8-27-9-7-22/h2-5,10-11H,6-9,12H2,1H3,(H,21,24)
InChIKeyUPQKYULRVNAKDY-UHFFFAOYSA-N
MW405.84 g/mol
LogP3.41
Rot. Bonds6

About 2-(4-chloro-3-methylphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide

2-(4-chloro-3-methylphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide (PubChem CID 17127202) has the molecular formula C19H20ClN3O5 and a molecular weight of 405.84 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide
PubChem CID17127202
Molecular FormulaC19H20ClN3O5
Molecular Weight405.84 g/mol
Exact Mass405.11
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide
SMILESCc1cc(OCC(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1Cl
InChIInChI=1S/C19H20ClN3O5/c1-13-10-15(3-4-16(13)20)28-12-19(24)21-14-2-5-17(18(11-14)23(25)26)22-6-8-27-9-7-22/h2-5,10-11H,6-9,12H2,1H3,(H,21,24)
InChIKeyUPQKYULRVNAKDY-UHFFFAOYSA-N
XLogP3.41
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.84
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide
CID 17127189
2-(4-methoxyphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide
CID 17127200
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide
CID 1114490
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(2-nitrophenoxy)acetamide
CID 1123640
2-(4-chloro-3-methylphenoxy)-N-[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]acetamide
CID 3343522
2-(4-methoxyphenoxy)-N-(3-nitro-4-piperazin-1-ylphenyl)acetamide
CID 28689238
2-(3-methylphenoxy)-N-(3-nitro-4-piperazin-1-ylphenyl)acetamide
CID 28689196
N-(3-chloro-4-methylphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 2903047
2-(4-chloro-3-methylphenoxy)-N-(3-chloro-2-morpholin-4-ylphenyl)acetamide
CID 3894786
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-morpholin-4-yl-3-nitrobenzoate
CID 7378426
4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
CID 17127079
3,5-dichloro-4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
CID 17127080

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide (CID 17127202) is 2-(4-chloro-3-methylphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide is Cc1cc(OCC(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide?
The InChIKey is UPQKYULRVNAKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O5/c1-13-10-15(3-4-16(13)20)28-12-19(24)21-14-2-5-17(18(11-14)23(25)26)22-6-8-27-9-7-22/h2-5,10-11H,6-9,12H2,1H3,(H,21,24).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide?
2-(4-chloro-3-methylphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide has a molecular weight of 405.84 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-(4-morpholin-4-yl-3-nitrophenyl)acetamide is sourced from PubChem (CID 17127202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).