(2R)-2-chloro-N-ethyl-N-naphthalen-1-ylpropanamide

C15H16ClNO — CID 2529538

IUPAC(2R)-2-chloro-N-ethyl-N-naphthalen-1-ylpropanamide
SMILESCCN(C(=O)[C@@H](C)Cl)c1cccc2ccccc12
InChIInChI=1S/C15H16ClNO/c1-3-17(15(18)11(2)16)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,3H2,1-2H3/t11-/m1/s1
InChIKeyNOUGICWSFQMDBX-LLVKDONJSA-N
MW261.75 g/mol
LogP3.82
Rot. Bonds3

About (2R)-2-chloro-N-ethyl-N-naphthalen-1-ylpropanamide

(2R)-2-chloro-N-ethyl-N-naphthalen-1-ylpropanamide (PubChem CID 2529538) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is (2R)-2-chloro-N-ethyl-N-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-chloro-N-ethyl-N-naphthalen-1-ylpropanamide
PubChem CID2529538
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name(2R)-2-chloro-N-ethyl-N-naphthalen-1-ylpropanamide
SMILESCCN(C(=O)[C@@H](C)Cl)c1cccc2ccccc12
InChIInChI=1S/C15H16ClNO/c1-3-17(15(18)11(2)16)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,3H2,1-2H3/t11-/m1/s1
InChIKeyNOUGICWSFQMDBX-LLVKDONJSA-N
XLogP3.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-ethyl-3-methyl-N-naphthalen-1-ylbutanamide
CID 79011768
(2R)-N-ethyl-N-naphthalen-1-yl-2-propan-2-ylsulfonylpropanamide
CID 95625088
2-amino-N-ethyl-3-methoxy-N-naphthalen-1-ylpropanamide
CID 81082117
3-chloro-N-ethyl-2,2-dimethyl-N-naphthalen-1-ylpropanamide
CID 63678616
2-amino-N-ethyl-2-methyl-N-naphthalen-1-ylpropanamide
CID 61265760
methyl 1-[(2S)-1-[ethyl(naphthalen-1-yl)amino]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate
CID 8741731
2,2-dichloro-N-ethyl-N-(2-methylphenyl)acetamide
CID 3338024
2-(2-chlorophenyl)sulfanyl-N-ethyl-N-naphthalen-1-ylacetamide
CID 2337968
3,4-dichloro-N-ethyl-N-naphthalen-1-ylbenzamide
CID 54499279
N,N-diethyl-2-naphthalen-1-ylpropanamide
CID 15100949
4-amino-N-ethyl-3-methoxy-N-naphthalen-1-ylbutanamide
CID 103154156
(3R)-3-azido-N-hydroxy-N-naphthalen-1-ylbutanamide
CID 154996734

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-N-ethyl-N-naphthalen-1-ylpropanamide?
The IUPAC name of (2R)-2-chloro-N-ethyl-N-naphthalen-1-ylpropanamide (CID 2529538) is (2R)-2-chloro-N-ethyl-N-naphthalen-1-ylpropanamide.
What is the SMILES notation for (2R)-2-chloro-N-ethyl-N-naphthalen-1-ylpropanamide?
The canonical SMILES for (2R)-2-chloro-N-ethyl-N-naphthalen-1-ylpropanamide is CCN(C(=O)[C@@H](C)Cl)c1cccc2ccccc12.
What is the InChIKey of (2R)-2-chloro-N-ethyl-N-naphthalen-1-ylpropanamide?
The InChIKey is NOUGICWSFQMDBX-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-3-17(15(18)11(2)16)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,3H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-2-chloro-N-ethyl-N-naphthalen-1-ylpropanamide?
(2R)-2-chloro-N-ethyl-N-naphthalen-1-ylpropanamide has a molecular weight of 261.75 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-N-ethyl-N-naphthalen-1-ylpropanamide is sourced from PubChem (CID 2529538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).