N-[2-(3-chlorophenyl)pyrimidin-4-yl]acetamide;1-morpholin-4-ylprop-2-en-1-one

C19H21ClN4O3 — CID 171499263

IUPACN-[2-(3-chlorophenyl)pyrimidin-4-yl]acetamide;1-morpholin-4-ylprop-2-en-1-one
SMILESC=CC(=O)N1CCOCC1.CC(=O)Nc1ccnc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C12H10ClN3O.C7H11NO2/c1-8(17)15-11-5-6-14-12(16-11)9-3-2-4-10(13)7-9;1-2-7(9)8-3-5-10-6-4-8/h2-7H,1H3,(H,14,15,16,17);2H,1,3-6H2
InChIKeyBNCFENLTRZCMED-UHFFFAOYSA-N
MW388.86 g/mol
LogP2.79
Rot. Bonds3

About N-[2-(3-chlorophenyl)pyrimidin-4-yl]acetamide;1-morpholin-4-ylprop-2-en-1-one

N-[2-(3-chlorophenyl)pyrimidin-4-yl]acetamide;1-morpholin-4-ylprop-2-en-1-one (PubChem CID 171499263) has the molecular formula C19H21ClN4O3 and a molecular weight of 388.86 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)pyrimidin-4-yl]acetamide;1-morpholin-4-ylprop-2-en-1-one.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)pyrimidin-4-yl]acetamide;1-morpholin-4-ylprop-2-en-1-one
PubChem CID171499263
Molecular FormulaC19H21ClN4O3
Molecular Weight388.86 g/mol
Exact Mass388.13
IUPAC NameN-[2-(3-chlorophenyl)pyrimidin-4-yl]acetamide;1-morpholin-4-ylprop-2-en-1-one
SMILESC=CC(=O)N1CCOCC1.CC(=O)Nc1ccnc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C12H10ClN3O.C7H11NO2/c1-8(17)15-11-5-6-14-12(16-11)9-3-2-4-10(13)7-9;1-2-7(9)8-3-5-10-6-4-8/h2-7H,1H3,(H,14,15,16,17);2H,1,3-6H2
InChIKeyBNCFENLTRZCMED-UHFFFAOYSA-N
XLogP2.79
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-N'-(1-aminoethenyl)-1-(3-chlorophenyl)ethene-1,2-diamine;1-morpholin-4-ylprop-2-en-1-one
CID 171499135
(3E)-3-(3-chlorophenyl)buta-1,3-diene-1,1,4-triamine;1-morpholin-4-ylprop-2-en-1-one
CID 171499365
(Z)-3-(3-chlorophenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 93012407
tert-butyl morpholine-4-carboxylate;3-[[4-(3-chlorophenyl)-1,3,5-triazin-2-yl]amino]propanal;methane
CID 171499396
N-[4-[4-(3-chlorophenyl)-2-[(1S)-1-hydroxyethyl]-1,3-thiazol-5-yl]-2-pyridinyl]acetamide
CID 99647046
N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-1-prop-2-enoylazetidine-3-carboxamide
CID 166420564
N-[4-[2-[5-(3-chlorophenyl)-2-pyridinyl]morpholine-4-carbonyl]phenyl]acetamide
CID 127252304
2-[2-(3-chlorophenyl)benzimidazol-1-yl]-1-morpholin-4-ylethanone
CID 17002090
5-[2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-N-(6-methyl-2-pyridinyl)-5-oxopentanamide
CID 110122540
tert-butyl morpholine-4-carboxylate;N-[4-(3-chlorophenyl)-1,3,5-triazin-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 171499063
[2-[2-(3-chlorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-[4-(oxan-4-yl)morpholin-3-yl]methanone
CID 110151570
2-[5-(2-acetamido-4-pyridinyl)-4-(3-chlorophenyl)-1,3-thiazol-2-yl]acetic acid
CID 68830076

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)pyrimidin-4-yl]acetamide;1-morpholin-4-ylprop-2-en-1-one?
The IUPAC name of N-[2-(3-chlorophenyl)pyrimidin-4-yl]acetamide;1-morpholin-4-ylprop-2-en-1-one (CID 171499263) is N-[2-(3-chlorophenyl)pyrimidin-4-yl]acetamide;1-morpholin-4-ylprop-2-en-1-one.
What is the SMILES notation for N-[2-(3-chlorophenyl)pyrimidin-4-yl]acetamide;1-morpholin-4-ylprop-2-en-1-one?
The canonical SMILES for N-[2-(3-chlorophenyl)pyrimidin-4-yl]acetamide;1-morpholin-4-ylprop-2-en-1-one is C=CC(=O)N1CCOCC1.CC(=O)Nc1ccnc(-c2cccc(Cl)c2)n1.
What is the InChIKey of N-[2-(3-chlorophenyl)pyrimidin-4-yl]acetamide;1-morpholin-4-ylprop-2-en-1-one?
The InChIKey is BNCFENLTRZCMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O.C7H11NO2/c1-8(17)15-11-5-6-14-12(16-11)9-3-2-4-10(13)7-9;1-2-7(9)8-3-5-10-6-4-8/h2-7H,1H3,(H,14,15,16,17);2H,1,3-6H2.
What are the key properties of N-[2-(3-chlorophenyl)pyrimidin-4-yl]acetamide;1-morpholin-4-ylprop-2-en-1-one?
N-[2-(3-chlorophenyl)pyrimidin-4-yl]acetamide;1-morpholin-4-ylprop-2-en-1-one has a molecular weight of 388.86 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)pyrimidin-4-yl]acetamide;1-morpholin-4-ylprop-2-en-1-one is sourced from PubChem (CID 171499263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).