(Z)-3-(2-chloro-5-methoxy-4-morpholin-4-ylphenyl)prop-2-enamide

C14H17ClN2O3 — CID 170877805

IUPAC(Z)-3-(2-chloro-5-methoxy-4-morpholin-4-ylphenyl)prop-2-enamide
SMILESCOc1cc(/C=C\C(N)=O)c(Cl)cc1N1CCOCC1
InChIInChI=1S/C14H17ClN2O3/c1-19-13-8-10(2-3-14(16)18)11(15)9-12(13)17-4-6-20-7-5-17/h2-3,8-9H,4-7H2,1H3,(H2,16,18)/b3-2-
InChIKeyBEVLORXMVNUJOO-IHWYPQMZSA-N
MW296.75 g/mol
LogP1.68
Rot. Bonds4

About (Z)-3-(2-chloro-5-methoxy-4-morpholin-4-ylphenyl)prop-2-enamide

(Z)-3-(2-chloro-5-methoxy-4-morpholin-4-ylphenyl)prop-2-enamide (PubChem CID 170877805) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is (Z)-3-(2-chloro-5-methoxy-4-morpholin-4-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(2-chloro-5-methoxy-4-morpholin-4-ylphenyl)prop-2-enamide
PubChem CID170877805
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name(Z)-3-(2-chloro-5-methoxy-4-morpholin-4-ylphenyl)prop-2-enamide
SMILESCOc1cc(/C=C\C(N)=O)c(Cl)cc1N1CCOCC1
InChIInChI=1S/C14H17ClN2O3/c1-19-13-8-10(2-3-14(16)18)11(15)9-12(13)17-4-6-20-7-5-17/h2-3,8-9H,4-7H2,1H3,(H2,16,18)/b3-2-
InChIKeyBEVLORXMVNUJOO-IHWYPQMZSA-N
XLogP1.68
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2,5-dimethoxy-4-morpholin-4-ylphenyl)prop-2-enamide
CID 170877800
3-(4-amino-2-chloro-5-methoxyphenyl)prop-2-enamide
CID 169482171
2-(5-chloro-2-methoxy-4-morpholin-4-ylphenyl)acetic acid
CID 54251602
2-chloro-N'-(2,5-dimethoxy-4-morpholin-4-ylphenyl)ethanimidamide
CID 169367962
(Z)-3-(4-morpholin-4-yl-3-propan-2-ylphenyl)prop-2-enamide
CID 170877788
methyl 2-amino-3-(2,5-dichloro-4-morpholin-4-ylphenyl)propanoate
CID 170884270
(E)-4-(2-methoxy-4-morpholin-4-ylphenyl)-2-oxobut-3-enoic acid
CID 126743116
tert-butyl (E)-3-(5-methoxy-2-morpholin-4-ylphenyl)prop-2-enoate
CID 133053467
3-(2-bromo-4-hydroxy-5-methoxyphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 76871231
(E)-3-(3-chloro-4-hydroxy-5-methoxyphenyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 8684982
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)prop-2-enamide
CID 6155213
3-(3-chloro-4,5-dimethoxyphenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)prop-2-enamide
CID 4579015

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-chloro-5-methoxy-4-morpholin-4-ylphenyl)prop-2-enamide?
The IUPAC name of (Z)-3-(2-chloro-5-methoxy-4-morpholin-4-ylphenyl)prop-2-enamide (CID 170877805) is (Z)-3-(2-chloro-5-methoxy-4-morpholin-4-ylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(2-chloro-5-methoxy-4-morpholin-4-ylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(2-chloro-5-methoxy-4-morpholin-4-ylphenyl)prop-2-enamide is COc1cc(/C=C\C(N)=O)c(Cl)cc1N1CCOCC1.
What is the InChIKey of (Z)-3-(2-chloro-5-methoxy-4-morpholin-4-ylphenyl)prop-2-enamide?
The InChIKey is BEVLORXMVNUJOO-IHWYPQMZSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-19-13-8-10(2-3-14(16)18)11(15)9-12(13)17-4-6-20-7-5-17/h2-3,8-9H,4-7H2,1H3,(H2,16,18)/b3-2-.
What are the key properties of (Z)-3-(2-chloro-5-methoxy-4-morpholin-4-ylphenyl)prop-2-enamide?
(Z)-3-(2-chloro-5-methoxy-4-morpholin-4-ylphenyl)prop-2-enamide has a molecular weight of 296.75 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-chloro-5-methoxy-4-morpholin-4-ylphenyl)prop-2-enamide is sourced from PubChem (CID 170877805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).