(2-chlorophenyl)-[(2S,3R)-3-naphthalen-2-ylaziridin-2-yl]methanone

C19H14ClNO — CID 101455260

IUPAC(2-chlorophenyl)-[(2S,3R)-3-naphthalen-2-ylaziridin-2-yl]methanone
SMILESO=C(c1ccccc1Cl)[C@H]1N[C@@H]1c1ccc2ccccc2c1
InChIInChI=1S/C19H14ClNO/c20-16-8-4-3-7-15(16)19(22)18-17(21-18)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,17-18,21H/t17-,18+/m1/s1
InChIKeyRFHVVADQXWZADD-MSOLQXFVSA-N
MW307.78 g/mol
LogP4.39
Rot. Bonds3

About (2-chlorophenyl)-[(2S,3R)-3-naphthalen-2-ylaziridin-2-yl]methanone

(2-chlorophenyl)-[(2S,3R)-3-naphthalen-2-ylaziridin-2-yl]methanone (PubChem CID 101455260) has the molecular formula C19H14ClNO and a molecular weight of 307.78 g/mol. Its IUPAC name is (2-chlorophenyl)-[(2S,3R)-3-naphthalen-2-ylaziridin-2-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[(2S,3R)-3-naphthalen-2-ylaziridin-2-yl]methanone
PubChem CID101455260
Molecular FormulaC19H14ClNO
Molecular Weight307.78 g/mol
Exact Mass307.08
IUPAC Name(2-chlorophenyl)-[(2S,3R)-3-naphthalen-2-ylaziridin-2-yl]methanone
SMILESO=C(c1ccccc1Cl)[C@H]1N[C@@H]1c1ccc2ccccc2c1
InChIInChI=1S/C19H14ClNO/c20-16-8-4-3-7-15(16)19(22)18-17(21-18)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,17-18,21H/t17-,18+/m1/s1
InChIKeyRFHVVADQXWZADD-MSOLQXFVSA-N
XLogP4.39
TPSA39.01 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (2-chlorophenyl)-[(2S,3R)-3-naphthalen-2-ylaziridin-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dinaphthalen-2-yl-1,2,5-thiadiazolidine 1,1-dioxide
CID 139265408
(2S,3S)-2,3-dinaphthalen-2-ylpiperazine
CID 11175156
2-chloro-N-(1-naphthalen-2-ylethyl)benzamide
CID 2950656
methyl 1-naphthalen-2-yl-1,2,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3-carboxylate
CID 134925617
4-[(1S,2R,3S,4R)-2-(4-carboxyphenyl)-3,4-dinaphthalen-2-ylcyclobutyl]benzoic acid
CID 138857842
2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 43810264
cis-(1S,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 51888066
trans-(1S,2S)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 51888068
3-bicyclo[3.1.0]hexanyl-(2-chlorophenyl)methanone
CID 114963326
2-chloro-N-ethyl-N-naphthalen-2-ylbenzamide
CID 587064
[(2R,3S)-3-[4-[(2S,3R)-3-(naphthalene-2-carbonyl)oxiran-2-yl]phenyl]oxiran-2-yl]-naphthalen-2-ylmethanone
CID 10766739
2-chlorobenzoic acid;naphthalene-1-carboxylic acid
CID 67612368

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[(2S,3R)-3-naphthalen-2-ylaziridin-2-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[(2S,3R)-3-naphthalen-2-ylaziridin-2-yl]methanone (CID 101455260) is (2-chlorophenyl)-[(2S,3R)-3-naphthalen-2-ylaziridin-2-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[(2S,3R)-3-naphthalen-2-ylaziridin-2-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[(2S,3R)-3-naphthalen-2-ylaziridin-2-yl]methanone is O=C(c1ccccc1Cl)[C@H]1N[C@@H]1c1ccc2ccccc2c1.
What is the InChIKey of (2-chlorophenyl)-[(2S,3R)-3-naphthalen-2-ylaziridin-2-yl]methanone?
The InChIKey is RFHVVADQXWZADD-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H14ClNO/c20-16-8-4-3-7-15(16)19(22)18-17(21-18)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,17-18,21H/t17-,18+/m1/s1.
What are the key properties of (2-chlorophenyl)-[(2S,3R)-3-naphthalen-2-ylaziridin-2-yl]methanone?
(2-chlorophenyl)-[(2S,3R)-3-naphthalen-2-ylaziridin-2-yl]methanone has a molecular weight of 307.78 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[(2S,3R)-3-naphthalen-2-ylaziridin-2-yl]methanone is sourced from PubChem (CID 101455260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).