3-(4-butoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide

C19H20ClNO2 — CID 2792142

IUPAC3-(4-butoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide
SMILESCCCCOc1ccc(C=CC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C19H20ClNO2/c1-2-3-14-23-16-11-8-15(9-12-16)10-13-19(22)21-18-7-5-4-6-17(18)20/h4-13H,2-3,14H2,1H3,(H,21,22)
InChIKeyOMXBERNCHAZIMF-UHFFFAOYSA-N
MW329.83 g/mol
LogP5.17
Rot. Bonds7

About 3-(4-butoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide

3-(4-butoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide (PubChem CID 2792142) has the molecular formula C19H20ClNO2 and a molecular weight of 329.83 g/mol. Its IUPAC name is 3-(4-butoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-butoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide
PubChem CID2792142
Molecular FormulaC19H20ClNO2
Molecular Weight329.83 g/mol
Exact Mass329.12
IUPAC Name3-(4-butoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide
SMILESCCCCOc1ccc(C=CC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C19H20ClNO2/c1-2-3-14-23-16-11-8-15(9-12-16)10-13-19(22)21-18-7-5-4-6-17(18)20/h4-13H,2-3,14H2,1H3,(H,21,22)
InChIKeyOMXBERNCHAZIMF-UHFFFAOYSA-N
XLogP5.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.83
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 805515
3-(4-butoxyphenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 4088773
(E)-N-(2-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773591
(E)-N-(2-chlorophenyl)-3-[4-[(4-chlorophenyl)methoxy]phenyl]prop-2-enamide
CID 51058015
(E)-N-(2-iodophenyl)-3-(4-propoxyphenyl)prop-2-enamide
CID 55771428
3-(4-butoxyphenyl)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 5114348
(E)-N-(2-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 732821
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4-propoxyphenyl)prop-2-enamide
CID 2791739
N-(2-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 875066
(E)-N-(2,5-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227087
N-[(2-chlorophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 920789
N-(2-bromo-4-methylphenyl)-3-(4-butoxyphenyl)prop-2-enamide
CID 3590404

Frequently Asked Questions

What is the IUPAC name of 3-(4-butoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide?
The IUPAC name of 3-(4-butoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide (CID 2792142) is 3-(4-butoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide.
What is the SMILES notation for 3-(4-butoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide?
The canonical SMILES for 3-(4-butoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide is CCCCOc1ccc(C=CC(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of 3-(4-butoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide?
The InChIKey is OMXBERNCHAZIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO2/c1-2-3-14-23-16-11-8-15(9-12-16)10-13-19(22)21-18-7-5-4-6-17(18)20/h4-13H,2-3,14H2,1H3,(H,21,22).
What are the key properties of 3-(4-butoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide?
3-(4-butoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide has a molecular weight of 329.83 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 2792142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).