(Z)-N-(2-bromo-3-methylphenyl)-3-(dimethylamino)-2-phenoxyprop-2-enamide

C18H19BrN2O2 — CID 177415004

IUPAC(Z)-N-(2-bromo-3-methylphenyl)-3-(dimethylamino)-2-phenoxyprop-2-enamide
SMILESCc1cccc(NC(=O)/C(=C/N(C)C)Oc2ccccc2)c1Br
InChIInChI=1S/C18H19BrN2O2/c1-13-8-7-11-15(17(13)19)20-18(22)16(12-21(2)3)23-14-9-5-4-6-10-14/h4-12H,1-3H3,(H,20,22)/b16-12-
InChIKeyIEVYHGGQKZXBER-VBKFSLOCSA-N
MW375.27 g/mol
LogP4.18
Rot. Bonds5

About (Z)-N-(2-bromo-3-methylphenyl)-3-(dimethylamino)-2-phenoxyprop-2-enamide

(Z)-N-(2-bromo-3-methylphenyl)-3-(dimethylamino)-2-phenoxyprop-2-enamide (PubChem CID 177415004) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is (Z)-N-(2-bromo-3-methylphenyl)-3-(dimethylamino)-2-phenoxyprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(2-bromo-3-methylphenyl)-3-(dimethylamino)-2-phenoxyprop-2-enamide
PubChem CID177415004
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC Name(Z)-N-(2-bromo-3-methylphenyl)-3-(dimethylamino)-2-phenoxyprop-2-enamide
SMILESCc1cccc(NC(=O)/C(=C/N(C)C)Oc2ccccc2)c1Br
InChIInChI=1S/C18H19BrN2O2/c1-13-8-7-11-15(17(13)19)20-18(22)16(12-21(2)3)23-14-9-5-4-6-10-14/h4-12H,1-3H3,(H,20,22)/b16-12-
InChIKeyIEVYHGGQKZXBER-VBKFSLOCSA-N
XLogP4.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-bromo-3-methylphenyl)-3-(dimethylamino)-2-phenoxyprop-2-enamide?
The IUPAC name of (Z)-N-(2-bromo-3-methylphenyl)-3-(dimethylamino)-2-phenoxyprop-2-enamide (CID 177415004) is (Z)-N-(2-bromo-3-methylphenyl)-3-(dimethylamino)-2-phenoxyprop-2-enamide.
What is the SMILES notation for (Z)-N-(2-bromo-3-methylphenyl)-3-(dimethylamino)-2-phenoxyprop-2-enamide?
The canonical SMILES for (Z)-N-(2-bromo-3-methylphenyl)-3-(dimethylamino)-2-phenoxyprop-2-enamide is Cc1cccc(NC(=O)/C(=C/N(C)C)Oc2ccccc2)c1Br.
What is the InChIKey of (Z)-N-(2-bromo-3-methylphenyl)-3-(dimethylamino)-2-phenoxyprop-2-enamide?
The InChIKey is IEVYHGGQKZXBER-VBKFSLOCSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-13-8-7-11-15(17(13)19)20-18(22)16(12-21(2)3)23-14-9-5-4-6-10-14/h4-12H,1-3H3,(H,20,22)/b16-12-.
What are the key properties of (Z)-N-(2-bromo-3-methylphenyl)-3-(dimethylamino)-2-phenoxyprop-2-enamide?
(Z)-N-(2-bromo-3-methylphenyl)-3-(dimethylamino)-2-phenoxyprop-2-enamide has a molecular weight of 375.27 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-bromo-3-methylphenyl)-3-(dimethylamino)-2-phenoxyprop-2-enamide is sourced from PubChem (CID 177415004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).