(E)-3-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]prop-2-enamide

C17H16ClNO2 — CID 7921016

IUPAC(E)-3-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]prop-2-enamide
SMILESCOc1cccc(CNC(=O)/C=C/c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H16ClNO2/c1-21-16-4-2-3-14(11-16)12-19-17(20)10-7-13-5-8-15(18)9-6-13/h2-11H,12H2,1H3,(H,19,20)/b10-7+
InChIKeyKACXHDALICVNMI-JXMROGBWSA-N
MW301.77 g/mol
LogP3.68
Rot. Bonds5

About (E)-3-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]prop-2-enamide

(E)-3-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]prop-2-enamide (PubChem CID 7921016) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]prop-2-enamide
PubChem CID7921016
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name(E)-3-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]prop-2-enamide
SMILESCOc1cccc(CNC(=O)/C=C/c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H16ClNO2/c1-21-16-4-2-3-14(11-16)12-19-17(20)10-7-13-5-8-15(18)9-6-13/h2-11H,12H2,1H3,(H,19,20)/b10-7+
InChIKeyKACXHDALICVNMI-JXMROGBWSA-N
XLogP3.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxyphenyl)-N-[[3-[[3-(4-methoxyphenyl)prop-2-enoylamino]methyl]phenyl]methyl]prop-2-enamide
CID 1011377
(E)-N-[(3-methoxyphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 9495702
3-(4-chlorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]prop-2-enamide
CID 76990323
N-benzyl-3-(4-chlorophenyl)prop-2-enamide
CID 682148
3-[[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]methyl]benzoic acid
CID 108767692
(E)-N-[(3-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 2679732
(E)-3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 7772448
(E)-3-(2-bromophenyl)-N-[(3-methoxyphenyl)methyl]prop-2-enamide
CID 9495750
(E)-N-[(3-methoxyphenyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 26050554
(E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-[(3-methoxyphenyl)methyl]prop-2-enamide
CID 9456421
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3-methoxyphenyl)methyl]prop-2-enamide
CID 17462318
(E)-3-(4-fluorophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]prop-2-enamide
CID 99996359

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]prop-2-enamide (CID 7921016) is (E)-3-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]prop-2-enamide is COc1cccc(CNC(=O)/C=C/c2ccc(Cl)cc2)c1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]prop-2-enamide?
The InChIKey is KACXHDALICVNMI-JXMROGBWSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-21-16-4-2-3-14(11-16)12-19-17(20)10-7-13-5-8-15(18)9-6-13/h2-11H,12H2,1H3,(H,19,20)/b10-7+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]prop-2-enamide?
(E)-3-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]prop-2-enamide has a molecular weight of 301.77 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]prop-2-enamide is sourced from PubChem (CID 7921016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).