N-[4-[(3-chloro-2-hydroxypropyl)amino]phenyl]-2-morpholin-4-ylacetamide

C15H22ClN3O3 — CID 168636902

IUPACN-[4-[(3-chloro-2-hydroxypropyl)amino]phenyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ccc(NCC(O)CCl)cc1
InChIInChI=1S/C15H22ClN3O3/c16-9-14(20)10-17-12-1-3-13(4-2-12)18-15(21)11-19-5-7-22-8-6-19/h1-4,14,17,20H,5-11H2,(H,18,21)
InChIKeyHBFYUWVPHRYQCD-UHFFFAOYSA-N
MW327.81 g/mol
LogP0.97
Rot. Bonds7

About N-[4-[(3-chloro-2-hydroxypropyl)amino]phenyl]-2-morpholin-4-ylacetamide

N-[4-[(3-chloro-2-hydroxypropyl)amino]phenyl]-2-morpholin-4-ylacetamide (PubChem CID 168636902) has the molecular formula C15H22ClN3O3 and a molecular weight of 327.81 g/mol. Its IUPAC name is N-[4-[(3-chloro-2-hydroxypropyl)amino]phenyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[4-[(3-chloro-2-hydroxypropyl)amino]phenyl]-2-morpholin-4-ylacetamide
PubChem CID168636902
Molecular FormulaC15H22ClN3O3
Molecular Weight327.81 g/mol
Exact Mass327.13
IUPAC NameN-[4-[(3-chloro-2-hydroxypropyl)amino]phenyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ccc(NCC(O)CCl)cc1
InChIInChI=1S/C15H22ClN3O3/c16-9-14(20)10-17-12-1-3-13(4-2-12)18-15(21)11-19-5-7-22-8-6-19/h1-4,14,17,20H,5-11H2,(H,18,21)
InChIKeyHBFYUWVPHRYQCD-UHFFFAOYSA-N
XLogP0.97
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-iodophenyl)-2-morpholin-4-ylacetamide
CID 677187
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229
3-amino-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride
CID 119840811
N-(4-ethynylphenyl)-2-morpholin-4-ylacetamide
CID 46844280
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2,2-diphenylacetamide
CID 16612010
(2S)-1-(4-chloroanilino)-3-morpholin-4-ylpropan-2-ol
CID 92856830
N-[4-(4-methylphenoxy)phenyl]-2-morpholin-4-ylacetamide
CID 8903812
N-[4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide
CID 16612015
N-(3,5-dichlorophenyl)-2-morpholin-4-ylacetamide
CID 717337
N-(4-chloro-3-iodophenyl)-2-morpholin-4-ylacetamide
CID 142417419
N-[4-(1,4-oxazepan-4-yl)phenyl]-2-piperidin-1-ylacetamide
CID 155391873

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chloro-2-hydroxypropyl)amino]phenyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[4-[(3-chloro-2-hydroxypropyl)amino]phenyl]-2-morpholin-4-ylacetamide (CID 168636902) is N-[4-[(3-chloro-2-hydroxypropyl)amino]phenyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[4-[(3-chloro-2-hydroxypropyl)amino]phenyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[4-[(3-chloro-2-hydroxypropyl)amino]phenyl]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)Nc1ccc(NCC(O)CCl)cc1.
What is the InChIKey of N-[4-[(3-chloro-2-hydroxypropyl)amino]phenyl]-2-morpholin-4-ylacetamide?
The InChIKey is HBFYUWVPHRYQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O3/c16-9-14(20)10-17-12-1-3-13(4-2-12)18-15(21)11-19-5-7-22-8-6-19/h1-4,14,17,20H,5-11H2,(H,18,21).
What are the key properties of N-[4-[(3-chloro-2-hydroxypropyl)amino]phenyl]-2-morpholin-4-ylacetamide?
N-[4-[(3-chloro-2-hydroxypropyl)amino]phenyl]-2-morpholin-4-ylacetamide has a molecular weight of 327.81 g/mol, XLogP of 0.97, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-chloro-2-hydroxypropyl)amino]phenyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 168636902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).