2-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide

C13H16ClNO — CID 18070040

IUPAC2-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
SMILESCC(Cl)C(=O)Nc1cccc2c1CCCC2
InChIInChI=1S/C13H16ClNO/c1-9(14)13(16)15-12-8-4-6-10-5-2-3-7-11(10)12/h4,6,8-9H,2-3,5,7H2,1H3,(H,15,16)
InChIKeyOIPSJQMLABMYGJ-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.13
Rot. Bonds2

About 2-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide

2-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide (PubChem CID 18070040) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 2-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
PubChem CID18070040
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name2-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
SMILESCC(Cl)C(=O)Nc1cccc2c1CCCC2
InChIInChI=1S/C13H16ClNO/c1-9(14)13(16)15-12-8-4-6-10-5-2-3-7-11(10)12/h4,6,8-9H,2-3,5,7H2,1H3,(H,15,16)
InChIKeyOIPSJQMLABMYGJ-UHFFFAOYSA-N
XLogP3.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.13
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

ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 178170556
(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid
CID 54991255
(2S)-2-amino-3,3-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 61147977
3,3-dimethyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)butanoic acid
CID 116536577
3-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)butanoic acid
CID 61180890
1-(1-cyclopropylethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 47133281
2-piperazin-1-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 43130627
6-amino-2-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)heptanamide
CID 65293239
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 76925739
1-tert-butyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 5016526
(2S)-2-(4-nitrophenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 895294
methyl N-(2,3-dihydro-1H-inden-4-yl)carbamate
CID 90481970

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide?
The IUPAC name of 2-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide (CID 18070040) is 2-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide.
What is the SMILES notation for 2-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide?
The canonical SMILES for 2-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide is CC(Cl)C(=O)Nc1cccc2c1CCCC2.
What is the InChIKey of 2-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide?
The InChIKey is OIPSJQMLABMYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-9(14)13(16)15-12-8-4-6-10-5-2-3-7-11(10)12/h4,6,8-9H,2-3,5,7H2,1H3,(H,15,16).
What are the key properties of 2-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide?
2-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide has a molecular weight of 237.73 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide is sourced from PubChem (CID 18070040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).