(E)-3-(5-chloro-2-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide

C17H16ClNO3 — CID 17340973

IUPAC(E)-3-(5-chloro-2-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(Cl)cc1/C=C/C(=O)Nc1ccccc1OC
InChIInChI=1S/C17H16ClNO3/c1-21-15-9-8-13(18)11-12(15)7-10-17(20)19-14-5-3-4-6-16(14)22-2/h3-11H,1-2H3,(H,19,20)/b10-7+
InChIKeyDDWPCEVPWGSYMK-JXMROGBWSA-N
MW317.77 g/mol
LogP4.01
Rot. Bonds5

About (E)-3-(5-chloro-2-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide

(E)-3-(5-chloro-2-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide (PubChem CID 17340973) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is (E)-3-(5-chloro-2-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-chloro-2-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
PubChem CID17340973
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC Name(E)-3-(5-chloro-2-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(Cl)cc1/C=C/C(=O)Nc1ccccc1OC
InChIInChI=1S/C17H16ClNO3/c1-21-15-9-8-13(18)11-12(15)7-10-17(20)19-14-5-3-4-6-16(14)22-2/h3-11H,1-2H3,(H,19,20)/b10-7+
InChIKeyDDWPCEVPWGSYMK-JXMROGBWSA-N
XLogP4.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]amino]-N-propan-2-ylbenzamide
CID 55874184
(E)-N-(5-chloro-2-methoxyphenyl)-3-(2-hydroxyphenyl)prop-2-enamide
CID 6017178
(E)-N-(5-chloro-2-hydroxyphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 17341208
2-[[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]amino]-4,5-dimethoxybenzoic acid
CID 17296321
3-[3-(5-chloro-2-methoxyphenyl)prop-2-enoylamino]-4-methylbenzoic acid
CID 71951631
N-(5-chloro-2-methoxyphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
CID 1421848
(E)-3-(5-chloro-2-methoxyphenyl)-N-(3-hydroxyphenyl)prop-2-enamide
CID 17341111
(E)-N-(3-acetylphenyl)-3-(5-chloro-2-methoxyphenyl)prop-2-enamide
CID 17171618
(E)-N-(5-chloro-2-methylphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 682471
(E)-N-(2-chlorophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 9411298
(E)-3-(5-chloro-2-methoxyphenyl)-N-(2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide
CID 17342181
3-(5-chloro-2-methoxyphenyl)-N-ethylprop-2-enamide
CID 75268042

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-chloro-2-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(5-chloro-2-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide (CID 17340973) is (E)-3-(5-chloro-2-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(5-chloro-2-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(5-chloro-2-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide is COc1ccc(Cl)cc1/C=C/C(=O)Nc1ccccc1OC.
What is the InChIKey of (E)-3-(5-chloro-2-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide?
The InChIKey is DDWPCEVPWGSYMK-JXMROGBWSA-N. The full InChI is InChI=1S/C17H16ClNO3/c1-21-15-9-8-13(18)11-12(15)7-10-17(20)19-14-5-3-4-6-16(14)22-2/h3-11H,1-2H3,(H,19,20)/b10-7+.
What are the key properties of (E)-3-(5-chloro-2-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide?
(E)-3-(5-chloro-2-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide has a molecular weight of 317.77 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-chloro-2-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 17340973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).