2-methylpropyl N-(3,4-dichlorobenzoyl)morpholine-4-carboximidate

C16H20Cl2N2O3 — CID 4555643

IUPAC2-methylpropyl N-(3,4-dichlorobenzoyl)morpholine-4-carboximidate
SMILESCC(C)CO/C(=N\C(=O)c1ccc(Cl)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C16H20Cl2N2O3/c1-11(2)10-23-16(20-5-7-22-8-6-20)19-15(21)12-3-4-13(17)14(18)9-12/h3-4,9,11H,5-8,10H2,1-2H3/b19-16-
InChIKeyNQWOPTISXSAKPI-MNDPQUGUSA-N
MW359.25 g/mol
LogP3.49
Rot. Bonds3

About 2-methylpropyl N-(3,4-dichlorobenzoyl)morpholine-4-carboximidate

2-methylpropyl N-(3,4-dichlorobenzoyl)morpholine-4-carboximidate (PubChem CID 4555643) has the molecular formula C16H20Cl2N2O3 and a molecular weight of 359.25 g/mol. Its IUPAC name is 2-methylpropyl N-(3,4-dichlorobenzoyl)morpholine-4-carboximidate.

Molecular Properties

Compound Name2-methylpropyl N-(3,4-dichlorobenzoyl)morpholine-4-carboximidate
PubChem CID4555643
Molecular FormulaC16H20Cl2N2O3
Molecular Weight359.25 g/mol
Exact Mass358.09
IUPAC Name2-methylpropyl N-(3,4-dichlorobenzoyl)morpholine-4-carboximidate
SMILESCC(C)CO/C(=N\C(=O)c1ccc(Cl)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C16H20Cl2N2O3/c1-11(2)10-23-16(20-5-7-22-8-6-20)19-15(21)12-3-4-13(17)14(18)9-12/h3-4,9,11H,5-8,10H2,1-2H3/b19-16-
InChIKeyNQWOPTISXSAKPI-MNDPQUGUSA-N
XLogP3.49
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methylpropyl 3,4-dichlorobenzoate
CID 82186391
3,4-dichloro-N-(2-methylpropoxy)benzamide
CID 115409805
N-[2-chloro-5-(diaminomethylidenecarbamoyl)phenyl]sulfonylmorpholine-4-carboxamide;hydrochloride
CID 67846321
2-methylpropyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 24657372
3,4-dichloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide
CID 110444164
3,4-dichloro-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide
CID 48663587
2-(3,4-dichlorophenyl)-1-morpholin-4-ylethanone
CID 1485657
ethyl N'-(3,4-dichlorobenzoyl)-N-methyl-N-(1-methylpiperidin-4-yl)carbamimidate
CID 46125916
propan-2-yl N-(2-methylbenzoyl)morpholine-4-carboximidate
CID 7350888
2-methoxyethyl N'-(3,4-dichlorobenzoyl)-N-methyl-N-propan-2-ylcarbamimidate
CID 7238312
2-methylpropyl 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 24518178
N-[1-(3,4-dichlorophenyl)-2-morpholin-4-ylethylidene]hydroxylamine
CID 164862221

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(3,4-dichlorobenzoyl)morpholine-4-carboximidate?
The IUPAC name of 2-methylpropyl N-(3,4-dichlorobenzoyl)morpholine-4-carboximidate (CID 4555643) is 2-methylpropyl N-(3,4-dichlorobenzoyl)morpholine-4-carboximidate.
What is the SMILES notation for 2-methylpropyl N-(3,4-dichlorobenzoyl)morpholine-4-carboximidate?
The canonical SMILES for 2-methylpropyl N-(3,4-dichlorobenzoyl)morpholine-4-carboximidate is CC(C)CO/C(=N\C(=O)c1ccc(Cl)c(Cl)c1)N1CCOCC1.
What is the InChIKey of 2-methylpropyl N-(3,4-dichlorobenzoyl)morpholine-4-carboximidate?
The InChIKey is NQWOPTISXSAKPI-MNDPQUGUSA-N. The full InChI is InChI=1S/C16H20Cl2N2O3/c1-11(2)10-23-16(20-5-7-22-8-6-20)19-15(21)12-3-4-13(17)14(18)9-12/h3-4,9,11H,5-8,10H2,1-2H3/b19-16-.
What are the key properties of 2-methylpropyl N-(3,4-dichlorobenzoyl)morpholine-4-carboximidate?
2-methylpropyl N-(3,4-dichlorobenzoyl)morpholine-4-carboximidate has a molecular weight of 359.25 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(3,4-dichlorobenzoyl)morpholine-4-carboximidate is sourced from PubChem (CID 4555643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).