2-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide

C12H14ClNO — CID 11775776

IUPAC2-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
SMILESO=C(CCl)NC1CCc2ccccc2C1
InChIInChI=1S/C12H14ClNO/c13-8-12(15)14-11-6-5-9-3-1-2-4-10(9)7-11/h1-4,11H,5-8H2,(H,14,15)
InChIKeyBZGOUBAJQDKNIK-UHFFFAOYSA-N
MW223.70 g/mol
LogP1.90
Rot. Bonds2

About 2-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide

2-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide (PubChem CID 11775776) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 2-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
PubChem CID11775776
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name2-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
SMILESO=C(CCl)NC1CCc2ccccc2C1
InChIInChI=1S/C12H14ClNO/c13-8-12(15)14-11-6-5-9-3-1-2-4-10(9)7-11/h1-4,11H,5-8H2,(H,14,15)
InChIKeyBZGOUBAJQDKNIK-UHFFFAOYSA-N
XLogP1.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide
CID 68917081
3-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide
CID 62305100
2-propan-2-yloxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 112686633
2-chloro-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 100968562
2-pyrrolidin-2-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 62306443
3-amino-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide;hydrochloride
CID 119948996
1-cyclohexyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
CID 115573941
2-bromo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 60630141
2,6-difluoro-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 95271360
2,6-difluoro-N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 95271362
4-[3-oxo-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propyl]benzoic acid
CID 119179640
2-(4-chloro-3-methylpyrazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 91761197

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
The IUPAC name of 2-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide (CID 11775776) is 2-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
The canonical SMILES for 2-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide is O=C(CCl)NC1CCc2ccccc2C1.
What is the InChIKey of 2-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
The InChIKey is BZGOUBAJQDKNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c13-8-12(15)14-11-6-5-9-3-1-2-4-10(9)7-11/h1-4,11H,5-8H2,(H,14,15).
What are the key properties of 2-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide?
2-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide has a molecular weight of 223.70 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide is sourced from PubChem (CID 11775776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).