N-(8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylprop-2-enamide

C15H18ClNO2 — CID 127267426

IUPACN-(8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)C1CCCc2c(OC)ccc(Cl)c21
InChIInChI=1S/C15H18ClNO2/c1-4-14(18)17(2)12-7-5-6-10-13(19-3)9-8-11(16)15(10)12/h4,8-9,12H,1,5-7H2,2-3H3
InChIKeySMWXPIBKOPLFSI-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.37
Rot. Bonds3

About N-(8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylprop-2-enamide

N-(8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylprop-2-enamide (PubChem CID 127267426) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is N-(8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-(8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylprop-2-enamide
PubChem CID127267426
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC NameN-(8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)C1CCCc2c(OC)ccc(Cl)c21
InChIInChI=1S/C15H18ClNO2/c1-4-14(18)17(2)12-7-5-6-10-13(19-3)9-8-11(16)15(10)12/h4,8-9,12H,1,5-7H2,2-3H3
InChIKeySMWXPIBKOPLFSI-UHFFFAOYSA-N
XLogP3.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-chloro-5-methoxy-N-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide
CID 138400676
1,8-dichloro-5-methoxy-1,2,3,4-tetrahydronaphthalene
CID 104546666
7-chloro-4-methoxy-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 18386395
4,5-dichloro-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 104546674
(5S)-4-chloro-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 104546659
1-[(1R)-8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
CID 21120088
8-chloro-N,N-dimethyl-5-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 138400673
(3R,4R)-3-[(8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]oxan-4-ol
CID 167913171
5-chloro-8-methoxy-N,N-bis(prop-2-enyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 67849625
5-chloro-1-methoxy-4-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 62735461
5-chloro-8-methoxy-3,4-dihydro-1H-isothiochromen-4-ol
CID 82887640
1-chloro-4,7-dimethoxy-2,3-dihydro-1H-indene
CID 61383826

Frequently Asked Questions

What is the IUPAC name of N-(8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylprop-2-enamide?
The IUPAC name of N-(8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylprop-2-enamide (CID 127267426) is N-(8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylprop-2-enamide.
What is the SMILES notation for N-(8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylprop-2-enamide?
The canonical SMILES for N-(8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylprop-2-enamide is C=CC(=O)N(C)C1CCCc2c(OC)ccc(Cl)c21.
What is the InChIKey of N-(8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylprop-2-enamide?
The InChIKey is SMWXPIBKOPLFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-4-14(18)17(2)12-7-5-6-10-13(19-3)9-8-11(16)15(10)12/h4,8-9,12H,1,5-7H2,2-3H3.
What are the key properties of N-(8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylprop-2-enamide?
N-(8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylprop-2-enamide has a molecular weight of 279.77 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylprop-2-enamide is sourced from PubChem (CID 127267426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).