(E)-3-(2-chlorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide

C19H18ClNO — CID 7919796

IUPAC(E)-3-(2-chlorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C19H18ClNO/c20-17-10-4-2-7-15(17)12-13-19(22)21-18-11-5-8-14-6-1-3-9-16(14)18/h1-4,6-7,9-10,12-13,18H,5,8,11H2,(H,21,22)/b13-12+/t18-/m0/s1
InChIKeyNQKFHGSHWJSCAJ-HHNLSAEISA-N
MW311.81 g/mol
LogP4.55
Rot. Bonds3

About (E)-3-(2-chlorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide

(E)-3-(2-chlorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide (PubChem CID 7919796) has the molecular formula C19H18ClNO and a molecular weight of 311.81 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
PubChem CID7919796
Molecular FormulaC19H18ClNO
Molecular Weight311.81 g/mol
Exact Mass311.11
IUPAC Name(E)-3-(2-chlorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C19H18ClNO/c20-17-10-4-2-7-15(17)12-13-19(22)21-18-11-5-8-14-6-1-3-9-16(14)18/h1-4,6-7,9-10,12-13,18H,5,8,11H2,(H,21,22)/b13-12+/t18-/m0/s1
InChIKeyNQKFHGSHWJSCAJ-HHNLSAEISA-N
XLogP4.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 54.55
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-(2-chlorophenyl)-2-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
CID 94011690
(E)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 30400382
(E)-3-(3-bromophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide
CID 42904423
(E)-3-(3-bromophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
CID 7919830
(E)-3-(1,3-benzodioxol-5-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
CID 2449357
(E)-3-quinolin-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
CID 8893313
2-[(2-chlorophenyl)methylideneamino]oxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4666541
(E)-3-(1,3-benzothiazol-2-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
CID 7919680
4,6-dichloro-3-[(E)-3-oxo-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)prop-1-enyl]-1H-indole-2-carboxylic acid
CID 10813473
1-(2-chlorophenyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 841694
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 7688429
(E)-3-(3-methoxyphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
CID 2710172

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide (CID 7919796) is (E)-3-(2-chlorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide is O=C(/C=C/c1ccccc1Cl)N[C@H]1CCCc2ccccc21.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide?
The InChIKey is NQKFHGSHWJSCAJ-HHNLSAEISA-N. The full InChI is InChI=1S/C19H18ClNO/c20-17-10-4-2-7-15(17)12-13-19(22)21-18-11-5-8-14-6-1-3-9-16(14)18/h1-4,6-7,9-10,12-13,18H,5,8,11H2,(H,21,22)/b13-12+/t18-/m0/s1.
What are the key properties of (E)-3-(2-chlorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide?
(E)-3-(2-chlorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide has a molecular weight of 311.81 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide is sourced from PubChem (CID 7919796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).