(E)-3-(4-chlorophenyl)-N-[(1R)-1-naphthalen-2-ylethyl]prop-2-enamide

C21H18ClNO — CID 7899703

IUPAC(E)-3-(4-chlorophenyl)-N-[(1R)-1-naphthalen-2-ylethyl]prop-2-enamide
SMILESC[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C21H18ClNO/c1-15(18-10-9-17-4-2-3-5-19(17)14-18)23-21(24)13-8-16-6-11-20(22)12-7-16/h2-15H,1H3,(H,23,24)/b13-8+/t15-/m1/s1
InChIKeyJDIXHJSVCLFUBC-XETPBLJFSA-N
MW335.83 g/mol
LogP5.38
Rot. Bonds4

About (E)-3-(4-chlorophenyl)-N-[(1R)-1-naphthalen-2-ylethyl]prop-2-enamide

(E)-3-(4-chlorophenyl)-N-[(1R)-1-naphthalen-2-ylethyl]prop-2-enamide (PubChem CID 7899703) has the molecular formula C21H18ClNO and a molecular weight of 335.83 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-[(1R)-1-naphthalen-2-ylethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-[(1R)-1-naphthalen-2-ylethyl]prop-2-enamide
PubChem CID7899703
Molecular FormulaC21H18ClNO
Molecular Weight335.83 g/mol
Exact Mass335.11
IUPAC Name(E)-3-(4-chlorophenyl)-N-[(1R)-1-naphthalen-2-ylethyl]prop-2-enamide
SMILESC[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C21H18ClNO/c1-15(18-10-9-17-4-2-3-5-19(17)14-18)23-21(24)13-8-16-6-11-20(22)12-7-16/h2-15H,1H3,(H,23,24)/b13-8+/t15-/m1/s1
InChIKeyJDIXHJSVCLFUBC-XETPBLJFSA-N
XLogP5.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.83
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-chlorophenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 94016154
3-(3-fluorophenyl)-N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide
CID 91321307
(E)-3-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]prop-2-enamide
CID 42990101
(E)-3-(2-methylphenyl)-N-(1-naphthalen-2-ylethyl)prop-2-enamide
CID 20744344
N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide
CID 101382734
(E)-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-(4-chlorophenyl)prop-2-enamide
CID 47034219
3-(4-chlorophenyl)-N-[(1S)-1-(3-pyrimidin-5-yloxyphenyl)ethyl]prop-2-enamide
CID 91100746
3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 7074355
(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-naphthalen-2-ylethyl]propanamide
CID 8025361
2-chloro-N-(1-naphthalen-2-ylethyl)benzamide
CID 2950656
(E)-3-(2,4-dimethoxyphenyl)-N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide
CID 20744202
(E)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 92646063

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-[(1R)-1-naphthalen-2-ylethyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-[(1R)-1-naphthalen-2-ylethyl]prop-2-enamide (CID 7899703) is (E)-3-(4-chlorophenyl)-N-[(1R)-1-naphthalen-2-ylethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-[(1R)-1-naphthalen-2-ylethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-[(1R)-1-naphthalen-2-ylethyl]prop-2-enamide is C[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ccc2ccccc2c1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-[(1R)-1-naphthalen-2-ylethyl]prop-2-enamide?
The InChIKey is JDIXHJSVCLFUBC-XETPBLJFSA-N. The full InChI is InChI=1S/C21H18ClNO/c1-15(18-10-9-17-4-2-3-5-19(17)14-18)23-21(24)13-8-16-6-11-20(22)12-7-16/h2-15H,1H3,(H,23,24)/b13-8+/t15-/m1/s1.
What are the key properties of (E)-3-(4-chlorophenyl)-N-[(1R)-1-naphthalen-2-ylethyl]prop-2-enamide?
(E)-3-(4-chlorophenyl)-N-[(1R)-1-naphthalen-2-ylethyl]prop-2-enamide has a molecular weight of 335.83 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N-[(1R)-1-naphthalen-2-ylethyl]prop-2-enamide is sourced from PubChem (CID 7899703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).