3-chloro-N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

C14H18ClNO2 — CID 10611920

IUPAC3-chloro-N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESCOc1cccc2c1CCC[C@H]2NC(=O)CCCl
InChIInChI=1S/C14H18ClNO2/c1-18-13-7-3-4-10-11(13)5-2-6-12(10)16-14(17)8-9-15/h3-4,7,12H,2,5-6,8-9H2,1H3,(H,16,17)/t12-/m1/s1
InChIKeyCEUDOWZFZMJEHV-GFCCVEGCSA-N
MW267.76 g/mol
LogP2.82
Rot. Bonds4

About 3-chloro-N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

3-chloro-N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (PubChem CID 10611920) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 3-chloro-N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
PubChem CID10611920
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name3-chloro-N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESCOc1cccc2c1CCC[C@H]2NC(=O)CCCl
InChIInChI=1S/C14H18ClNO2/c1-18-13-7-3-4-10-11(13)5-2-6-12(10)16-14(17)8-9-15/h3-4,7,12H,2,5-6,8-9H2,1H3,(H,16,17)/t12-/m1/s1
InChIKeyCEUDOWZFZMJEHV-GFCCVEGCSA-N
XLogP2.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 10764762
2-(4-cyclohexylpiperazin-1-yl)-N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 51003171
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 118720492
N-cyclopropyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 83910112
N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 126786894
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2710167
4-chloro-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 129365353
(2S)-2-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)propanamide
CID 119317459
2-methoxy-N-[3-oxo-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]benzamide
CID 41135260
[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methanol
CID 10535755
N-cyclopropyl-2-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
CID 65455358
1-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide
CID 119317483

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The IUPAC name of 3-chloro-N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (CID 10611920) is 3-chloro-N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.
What is the SMILES notation for 3-chloro-N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The canonical SMILES for 3-chloro-N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is COc1cccc2c1CCC[C@H]2NC(=O)CCCl.
What is the InChIKey of 3-chloro-N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The InChIKey is CEUDOWZFZMJEHV-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-18-13-7-3-4-10-11(13)5-2-6-12(10)16-14(17)8-9-15/h3-4,7,12H,2,5-6,8-9H2,1H3,(H,16,17)/t12-/m1/s1.
What are the key properties of 3-chloro-N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
3-chloro-N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide has a molecular weight of 267.76 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is sourced from PubChem (CID 10611920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).