(E)-N-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)prop-2-enamide

C17H17ClN2O — CID 28867707

IUPAC(E)-N-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)prop-2-enamide
SMILESCCc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1N
InChIInChI=1S/C17H17ClN2O/c1-2-13-6-9-15(11-16(13)19)20-17(21)10-5-12-3-7-14(18)8-4-12/h3-11H,2,19H2,1H3,(H,20,21)/b10-5+
InChIKeyNCORMRWSYBVLNN-BJMVGYQFSA-N
MW300.79 g/mol
LogP4.14
Rot. Bonds4

About (E)-N-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)prop-2-enamide

(E)-N-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)prop-2-enamide (PubChem CID 28867707) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is (E)-N-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)prop-2-enamide
PubChem CID28867707
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name(E)-N-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)prop-2-enamide
SMILESCCc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1N
InChIInChI=1S/C17H17ClN2O/c1-2-13-6-9-15(11-16(13)19)20-17(21)10-5-12-3-7-14(18)8-4-12/h3-11H,2,19H2,1H3,(H,20,21)/b10-5+
InChIKeyNCORMRWSYBVLNN-BJMVGYQFSA-N
XLogP4.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)urea
CID 43551516
(Z)-3-(3-amino-4-ethoxyphenyl)-N-(4-chlorophenyl)prop-2-enamide
CID 94760326
(E)-N-(3-amino-4-chlorophenyl)-3-(4-methylphenyl)prop-2-enamide
CID 28867808
(E)-3-(4-chlorophenyl)-N-(3,4-diethoxyphenyl)prop-2-enamide
CID 7924174
N-(4-amino-2-propylquinolin-6-yl)-3-(4-chlorophenyl)prop-2-enamide
CID 68978733
(E)-3-(4-chlorophenyl)-N-(3-iodo-4-methylphenyl)prop-2-enamide
CID 7925553
3-(4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 692427
(E)-3-(4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 692428
(E)-N-(3-amino-4-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 28867683
N-(4-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 886082
(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692423
(E)-3-(3-amino-4-fluorophenyl)-N-(3-chloro-4-methylphenyl)prop-2-enamide
CID 39433531

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)prop-2-enamide (CID 28867707) is (E)-N-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)prop-2-enamide is CCc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1N.
What is the InChIKey of (E)-N-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)prop-2-enamide?
The InChIKey is NCORMRWSYBVLNN-BJMVGYQFSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-2-13-6-9-15(11-16(13)19)20-17(21)10-5-12-3-7-14(18)8-4-12/h3-11H,2,19H2,1H3,(H,20,21)/b10-5+.
What are the key properties of (E)-N-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)prop-2-enamide?
(E)-N-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)prop-2-enamide has a molecular weight of 300.79 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 28867707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).