(Z)-N,3-bis(4-chlorophenyl)-2-methoxyprop-2-enamide

C16H13Cl2NO2 — CID 56968410

IUPAC(Z)-N,3-bis(4-chlorophenyl)-2-methoxyprop-2-enamide
SMILESCO/C(=C\c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H13Cl2NO2/c1-21-15(10-11-2-4-12(17)5-3-11)16(20)19-14-8-6-13(18)7-9-14/h2-10H,1H3,(H,19,20)/b15-10-
InChIKeySDUYIOBNJUIMFO-GDNBJRDFSA-N
MW322.19 g/mol
LogP4.62
Rot. Bonds4

About (Z)-N,3-bis(4-chlorophenyl)-2-methoxyprop-2-enamide

(Z)-N,3-bis(4-chlorophenyl)-2-methoxyprop-2-enamide (PubChem CID 56968410) has the molecular formula C16H13Cl2NO2 and a molecular weight of 322.19 g/mol. Its IUPAC name is (Z)-N,3-bis(4-chlorophenyl)-2-methoxyprop-2-enamide.

Molecular Properties

Compound Name(Z)-N,3-bis(4-chlorophenyl)-2-methoxyprop-2-enamide
PubChem CID56968410
Molecular FormulaC16H13Cl2NO2
Molecular Weight322.19 g/mol
Exact Mass321.03
IUPAC Name(Z)-N,3-bis(4-chlorophenyl)-2-methoxyprop-2-enamide
SMILESCO/C(=C\c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H13Cl2NO2/c1-21-15(10-11-2-4-12(17)5-3-11)16(20)19-14-8-6-13(18)7-9-14/h2-10H,1H3,(H,19,20)/b15-10-
InChIKeySDUYIOBNJUIMFO-GDNBJRDFSA-N
XLogP4.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Propenamide, N-(4-chlorophenyl)-3-phenyl-
CID 766168
N-(5-chloro-2-methylphenyl)-2-methoxyacetamide
CID 795634
(2E)-3-(4-chlorophenyl)-N-(3-chlorophenyl)prop-2-enamide
CID 692403
(E)-3-(4-chlorophenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 798804
N-(5-chloro-2-methylphenyl)-2-ethoxyacetamide
CID 1731788
N-[4-(acetylamino)phenyl]-3-(4-chlorophenyl)acrylamide
CID 1122474
Nsc204179
CID 895895
N-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 18170180
(2-anilino-2-oxoethyl) (E)-3-(4-chlorophenyl)prop-2-enoate
CID 2343081
(Z)-N-(4-chlorophenyl)-3-(4-fluorophenyl)-2-methoxyprop-2-enamide
CID 56968200
(Z)-N-(4-fluorophenyl)-2-methoxy-3-phenylprop-2-enamide
CID 56971500
2-Propenamide, 3-(4-chlorophenyl)-N-(3-fluorophenyl)-2-methyl-
CID 6447500

Frequently Asked Questions

What is the IUPAC name of (Z)-N,3-bis(4-chlorophenyl)-2-methoxyprop-2-enamide?
The IUPAC name of (Z)-N,3-bis(4-chlorophenyl)-2-methoxyprop-2-enamide (CID 56968410) is (Z)-N,3-bis(4-chlorophenyl)-2-methoxyprop-2-enamide.
What is the SMILES notation for (Z)-N,3-bis(4-chlorophenyl)-2-methoxyprop-2-enamide?
The canonical SMILES for (Z)-N,3-bis(4-chlorophenyl)-2-methoxyprop-2-enamide is CO/C(=C\c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of (Z)-N,3-bis(4-chlorophenyl)-2-methoxyprop-2-enamide?
The InChIKey is SDUYIOBNJUIMFO-GDNBJRDFSA-N. The full InChI is InChI=1S/C16H13Cl2NO2/c1-21-15(10-11-2-4-12(17)5-3-11)16(20)19-14-8-6-13(18)7-9-14/h2-10H,1H3,(H,19,20)/b15-10-.
What are the key properties of (Z)-N,3-bis(4-chlorophenyl)-2-methoxyprop-2-enamide?
(Z)-N,3-bis(4-chlorophenyl)-2-methoxyprop-2-enamide has a molecular weight of 322.19 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,3-bis(4-chlorophenyl)-2-methoxyprop-2-enamide is sourced from PubChem (CID 56968410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).