N-[4-[2-[5-(3-chlorophenyl)-2-pyridinyl]morpholine-4-carbonyl]phenyl]acetamide

C24H22ClN3O3 — CID 127252304

IUPACN-[4-[2-[5-(3-chlorophenyl)-2-pyridinyl]morpholine-4-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCOC(c3ccc(-c4cccc(Cl)c4)cn3)C2)cc1
InChIInChI=1S/C24H22ClN3O3/c1-16(29)27-21-8-5-17(6-9-21)24(30)28-11-12-31-23(15-28)22-10-7-19(14-26-22)18-3-2-4-20(25)13-18/h2-10,13-14,23H,11-12,15H2,1H3,(H,27,29)
InChIKeyXVFQNDKRMNODCQ-UHFFFAOYSA-N
MW435.91 g/mol
LogP4.57
Rot. Bonds4

About N-[4-[2-[5-(3-chlorophenyl)-2-pyridinyl]morpholine-4-carbonyl]phenyl]acetamide

N-[4-[2-[5-(3-chlorophenyl)-2-pyridinyl]morpholine-4-carbonyl]phenyl]acetamide (PubChem CID 127252304) has the molecular formula C24H22ClN3O3 and a molecular weight of 435.91 g/mol. Its IUPAC name is N-[4-[2-[5-(3-chlorophenyl)-2-pyridinyl]morpholine-4-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[5-(3-chlorophenyl)-2-pyridinyl]morpholine-4-carbonyl]phenyl]acetamide
PubChem CID127252304
Molecular FormulaC24H22ClN3O3
Molecular Weight435.91 g/mol
Exact Mass435.13
IUPAC NameN-[4-[2-[5-(3-chlorophenyl)-2-pyridinyl]morpholine-4-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCOC(c3ccc(-c4cccc(Cl)c4)cn3)C2)cc1
InChIInChI=1S/C24H22ClN3O3/c1-16(29)27-21-8-5-17(6-9-21)24(30)28-11-12-31-23(15-28)22-10-7-19(14-26-22)18-3-2-4-20(25)13-18/h2-10,13-14,23H,11-12,15H2,1H3,(H,27,29)
InChIKeyXVFQNDKRMNODCQ-UHFFFAOYSA-N
XLogP4.57
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.91
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[5-(3-chlorophenyl)-2-pyridinyl]morpholin-4-yl]-3-phenylpropan-1-one
CID 127252242
6-[(2S)-4-(4-chlorobenzoyl)morpholin-2-yl]pyridine-3-carboxamide
CID 95847945
3-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]-3-pyridinyl]benzoic acid
CID 175660676
5-[2-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholine-4-carbonyl]-1-methylpyridin-2-one
CID 127250237
[3-[(dimethylamino)methyl]phenyl]-[2-[5-(3-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]methanone
CID 127250394
[(2R)-2-[6-[(3-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-phenylmethanone
CID 124976913
(2S)-2-(2-aminoethyl)-N-[4-(3-chlorophenyl)phenyl]morpholine-4-carboxamide
CID 125164851
1-phenyl-3-[4-(2-phenylmorpholine-4-carbonyl)phenyl]urea
CID 71898747
[4-[4-(3-chlorophenyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 86272765
N-[4-[2-(2-chloro-4-fluorophenyl)morpholine-4-carbonyl]phenyl]prop-2-enamide
CID 166411739
N-[4-(2-phenylmorpholine-4-carbonyl)phenyl]benzamide
CID 42944919
pyridin-4-yl-(2-pyridin-2-ylmorpholin-4-yl)methanone
CID 110270765

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[5-(3-chlorophenyl)-2-pyridinyl]morpholine-4-carbonyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[5-(3-chlorophenyl)-2-pyridinyl]morpholine-4-carbonyl]phenyl]acetamide (CID 127252304) is N-[4-[2-[5-(3-chlorophenyl)-2-pyridinyl]morpholine-4-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[5-(3-chlorophenyl)-2-pyridinyl]morpholine-4-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[5-(3-chlorophenyl)-2-pyridinyl]morpholine-4-carbonyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)N2CCOC(c3ccc(-c4cccc(Cl)c4)cn3)C2)cc1.
What is the InChIKey of N-[4-[2-[5-(3-chlorophenyl)-2-pyridinyl]morpholine-4-carbonyl]phenyl]acetamide?
The InChIKey is XVFQNDKRMNODCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O3/c1-16(29)27-21-8-5-17(6-9-21)24(30)28-11-12-31-23(15-28)22-10-7-19(14-26-22)18-3-2-4-20(25)13-18/h2-10,13-14,23H,11-12,15H2,1H3,(H,27,29).
What are the key properties of N-[4-[2-[5-(3-chlorophenyl)-2-pyridinyl]morpholine-4-carbonyl]phenyl]acetamide?
N-[4-[2-[5-(3-chlorophenyl)-2-pyridinyl]morpholine-4-carbonyl]phenyl]acetamide has a molecular weight of 435.91 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[5-(3-chlorophenyl)-2-pyridinyl]morpholine-4-carbonyl]phenyl]acetamide is sourced from PubChem (CID 127252304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).