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

C25H22ClNO — CID 94011690

IUPAC(E)-3-(2-chlorophenyl)-2-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
SMILESO=C(N[C@@H]1CCCc2ccccc21)/C(=C/c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C25H22ClNO/c26-23-15-7-5-12-20(23)17-22(19-9-2-1-3-10-19)25(28)27-24-16-8-13-18-11-4-6-14-21(18)24/h1-7,9-12,14-15,17,24H,8,13,16H2,(H,27,28)/b22-17+/t24-/m1/s1
InChIKeyUJMHPIQLWXCKOH-CAZPATRMSA-N
MW387.91 g/mol
LogP6.07
Rot. Bonds4

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

(E)-3-(2-chlorophenyl)-2-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide (PubChem CID 94011690) has the molecular formula C25H22ClNO and a molecular weight of 387.91 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-2-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-2-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
PubChem CID94011690
Molecular FormulaC25H22ClNO
Molecular Weight387.91 g/mol
Exact Mass387.14
IUPAC Name(E)-3-(2-chlorophenyl)-2-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
SMILESO=C(N[C@@H]1CCCc2ccccc21)/C(=C/c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C25H22ClNO/c26-23-15-7-5-12-20(23)17-22(19-9-2-1-3-10-19)25(28)27-24-16-8-13-18-11-4-6-14-21(18)24/h1-7,9-12,14-15,17,24H,8,13,16H2,(H,27,28)/b22-17+/t24-/m1/s1
InChIKeyUJMHPIQLWXCKOH-CAZPATRMSA-N
XLogP6.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.91
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-chlorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
CID 7919796
2-[(2-chlorophenyl)methylideneamino]oxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4666541
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
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
CID 90147743
2-oxo-2-piperazin-1-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 62318149
N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-1-carboxamide
CID 54412767
3,5-dichloro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7428902
1-benzamido-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 47023890
3-chloro-2-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 11266613
1-(2-chlorophenyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]thiourea
CID 6596704
2-chloro-6-fluoro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450751

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-2-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-2-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide (CID 94011690) is (E)-3-(2-chlorophenyl)-2-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-2-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-2-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide is O=C(N[C@@H]1CCCc2ccccc21)/C(=C/c1ccccc1Cl)c1ccccc1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-2-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide?
The InChIKey is UJMHPIQLWXCKOH-CAZPATRMSA-N. The full InChI is InChI=1S/C25H22ClNO/c26-23-15-7-5-12-20(23)17-22(19-9-2-1-3-10-19)25(28)27-24-16-8-13-18-11-4-6-14-21(18)24/h1-7,9-12,14-15,17,24H,8,13,16H2,(H,27,28)/b22-17+/t24-/m1/s1.
What are the key properties of (E)-3-(2-chlorophenyl)-2-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide?
(E)-3-(2-chlorophenyl)-2-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide has a molecular weight of 387.91 g/mol, XLogP of 6.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-2-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide is sourced from PubChem (CID 94011690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).