N-(2,2,2-trichloro-1-phenoxyethyl)morpholine-4-carboxamide

C13H15Cl3N2O3 — CID 2831270

IUPACN-(2,2,2-trichloro-1-phenoxyethyl)morpholine-4-carboxamide
SMILESO=C(NC(Oc1ccccc1)C(Cl)(Cl)Cl)N1CCOCC1
InChIInChI=1S/C13H15Cl3N2O3/c14-13(15,16)11(21-10-4-2-1-3-5-10)17-12(19)18-6-8-20-9-7-18/h1-5,11H,6-9H2,(H,17,19)
InChIKeyMLVXVILMXBZRMZ-UHFFFAOYSA-N
MW353.63 g/mol
LogP2.80
Rot. Bonds3

About N-(2,2,2-trichloro-1-phenoxyethyl)morpholine-4-carboxamide

N-(2,2,2-trichloro-1-phenoxyethyl)morpholine-4-carboxamide (PubChem CID 2831270) has the molecular formula C13H15Cl3N2O3 and a molecular weight of 353.63 g/mol. Its IUPAC name is N-(2,2,2-trichloro-1-phenoxyethyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trichloro-1-phenoxyethyl)morpholine-4-carboxamide
PubChem CID2831270
Molecular FormulaC13H15Cl3N2O3
Molecular Weight353.63 g/mol
Exact Mass352.01
IUPAC NameN-(2,2,2-trichloro-1-phenoxyethyl)morpholine-4-carboxamide
SMILESO=C(NC(Oc1ccccc1)C(Cl)(Cl)Cl)N1CCOCC1
InChIInChI=1S/C13H15Cl3N2O3/c14-13(15,16)11(21-10-4-2-1-3-5-10)17-12(19)18-6-8-20-9-7-18/h1-5,11H,6-9H2,(H,17,19)
InChIKeyMLVXVILMXBZRMZ-UHFFFAOYSA-N
XLogP2.80
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.63
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[2,2,2-trichloro-1-(morpholine-4-carbonylamino)ethyl] 4-bromobenzoate
CID 4620724
N-[(S)-(4-methoxyphenyl)-phenylmethyl]morpholine-4-carboxamide
CID 94513081
N-[(1S)-2-methyl-1-phenylpropyl]morpholine-4-carboxamide
CID 34672149
3-methyl-2-(morpholine-4-carbonylamino)-3-phenylbutanoic acid
CID 14213088
N-[1-(4-propan-2-ylphenoxy)ethyl]morpholine-4-carboxamide
CID 108880527
2-chloro-N-(2,2,2-trichloro-1-phenoxyethyl)benzamide
CID 4117708
methyl 2-(morpholine-4-carbonylamino)-3-phenylpropanoate
CID 3297862
2-(1,4-oxazepane-4-carbonylamino)-2-phenylacetic acid
CID 62968862
N-[1-(2-chlorophenyl)ethyl]morpholine-4-carboxamide
CID 115575696
N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]morpholine-4-carboxamide
CID 110284593
N-[(1R)-2,2,2-trichloro-1-(morpholine-4-carbothioylamino)ethyl]morpholine-4-carboxamide
CID 35580254
(2S)-2-(morpholine-4-carbonylamino)-3-(4-phenylphenyl)propanoic acid
CID 21339337

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trichloro-1-phenoxyethyl)morpholine-4-carboxamide?
The IUPAC name of N-(2,2,2-trichloro-1-phenoxyethyl)morpholine-4-carboxamide (CID 2831270) is N-(2,2,2-trichloro-1-phenoxyethyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(2,2,2-trichloro-1-phenoxyethyl)morpholine-4-carboxamide?
The canonical SMILES for N-(2,2,2-trichloro-1-phenoxyethyl)morpholine-4-carboxamide is O=C(NC(Oc1ccccc1)C(Cl)(Cl)Cl)N1CCOCC1.
What is the InChIKey of N-(2,2,2-trichloro-1-phenoxyethyl)morpholine-4-carboxamide?
The InChIKey is MLVXVILMXBZRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl3N2O3/c14-13(15,16)11(21-10-4-2-1-3-5-10)17-12(19)18-6-8-20-9-7-18/h1-5,11H,6-9H2,(H,17,19).
What are the key properties of N-(2,2,2-trichloro-1-phenoxyethyl)morpholine-4-carboxamide?
N-(2,2,2-trichloro-1-phenoxyethyl)morpholine-4-carboxamide has a molecular weight of 353.63 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trichloro-1-phenoxyethyl)morpholine-4-carboxamide is sourced from PubChem (CID 2831270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).