N-[[4-(2,3-dichlorophenoxy)phenyl]methyl]morpholine-3-carboxamide

C18H18Cl2N2O3 — CID 119800989

IUPACN-[[4-(2,3-dichlorophenoxy)phenyl]methyl]morpholine-3-carboxamide
SMILESO=C(NCc1ccc(Oc2cccc(Cl)c2Cl)cc1)C1COCCN1
InChIInChI=1S/C18H18Cl2N2O3/c19-14-2-1-3-16(17(14)20)25-13-6-4-12(5-7-13)10-22-18(23)15-11-24-9-8-21-15/h1-7,15,21H,8-11H2,(H,22,23)
InChIKeyDTGCKHSFMDXYRQ-UHFFFAOYSA-N
MW381.26 g/mol
LogP3.39
Rot. Bonds5

About N-[[4-(2,3-dichlorophenoxy)phenyl]methyl]morpholine-3-carboxamide

N-[[4-(2,3-dichlorophenoxy)phenyl]methyl]morpholine-3-carboxamide (PubChem CID 119800989) has the molecular formula C18H18Cl2N2O3 and a molecular weight of 381.26 g/mol. Its IUPAC name is N-[[4-(2,3-dichlorophenoxy)phenyl]methyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(2,3-dichlorophenoxy)phenyl]methyl]morpholine-3-carboxamide
PubChem CID119800989
Molecular FormulaC18H18Cl2N2O3
Molecular Weight381.26 g/mol
Exact Mass380.07
IUPAC NameN-[[4-(2,3-dichlorophenoxy)phenyl]methyl]morpholine-3-carboxamide
SMILESO=C(NCc1ccc(Oc2cccc(Cl)c2Cl)cc1)C1COCCN1
InChIInChI=1S/C18H18Cl2N2O3/c19-14-2-1-3-16(17(14)20)25-13-6-4-12(5-7-13)10-22-18(23)15-11-24-9-8-21-15/h1-7,15,21H,8-11H2,(H,22,23)
InChIKeyDTGCKHSFMDXYRQ-UHFFFAOYSA-N
XLogP3.39
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[(2R)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]morpholine-3-carboxamide
CID 124703892
N-[(3-chloro-4-methoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119808070
N-[[4-(2-methoxyethoxy)phenyl]methyl]morpholine-3-carboxamide
CID 119723243
N-[(4-propoxyphenyl)methyl]morpholine-3-carboxamide
CID 119714341
N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]morpholine-3-carboxamide
CID 119877252
N-[[4-(methoxymethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119718110
N-[(4-tert-butylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119707397
N-[[2-(3-methylphenoxy)phenyl]methyl]morpholine-3-carboxamide
CID 119777833
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]morpholine-3-carboxamide
CID 119847595
N-[[3-(difluoromethoxy)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119762990
N-[(4-pyrazol-1-ylphenyl)methyl]morpholine-3-carboxamide
CID 86780207
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide
CID 119876061

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,3-dichlorophenoxy)phenyl]methyl]morpholine-3-carboxamide?
The IUPAC name of N-[[4-(2,3-dichlorophenoxy)phenyl]methyl]morpholine-3-carboxamide (CID 119800989) is N-[[4-(2,3-dichlorophenoxy)phenyl]methyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[[4-(2,3-dichlorophenoxy)phenyl]methyl]morpholine-3-carboxamide?
The canonical SMILES for N-[[4-(2,3-dichlorophenoxy)phenyl]methyl]morpholine-3-carboxamide is O=C(NCc1ccc(Oc2cccc(Cl)c2Cl)cc1)C1COCCN1.
What is the InChIKey of N-[[4-(2,3-dichlorophenoxy)phenyl]methyl]morpholine-3-carboxamide?
The InChIKey is DTGCKHSFMDXYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3/c19-14-2-1-3-16(17(14)20)25-13-6-4-12(5-7-13)10-22-18(23)15-11-24-9-8-21-15/h1-7,15,21H,8-11H2,(H,22,23).
What are the key properties of N-[[4-(2,3-dichlorophenoxy)phenyl]methyl]morpholine-3-carboxamide?
N-[[4-(2,3-dichlorophenoxy)phenyl]methyl]morpholine-3-carboxamide has a molecular weight of 381.26 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,3-dichlorophenoxy)phenyl]methyl]morpholine-3-carboxamide is sourced from PubChem (CID 119800989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).