N-(2,2-dichloro-3,3-dimethylcyclopropyl)-2-phenylpropanamide

C14H17Cl2NO — CID 70499721

IUPACN-(2,2-dichloro-3,3-dimethylcyclopropyl)-2-phenylpropanamide
SMILESCC(C(=O)NC1C(C)(C)C1(Cl)Cl)c1ccccc1
InChIInChI=1S/C14H17Cl2NO/c1-9(10-7-5-4-6-8-10)11(18)17-12-13(2,3)14(12,15)16/h4-9,12H,1-3H3,(H,17,18)
InChIKeyNJRZUMFDYFMTCC-UHFFFAOYSA-N
MW286.20 g/mol
LogP3.49
Rot. Bonds3

About N-(2,2-dichloro-3,3-dimethylcyclopropyl)-2-phenylpropanamide

N-(2,2-dichloro-3,3-dimethylcyclopropyl)-2-phenylpropanamide (PubChem CID 70499721) has the molecular formula C14H17Cl2NO and a molecular weight of 286.20 g/mol. Its IUPAC name is N-(2,2-dichloro-3,3-dimethylcyclopropyl)-2-phenylpropanamide.

Molecular Properties

Compound NameN-(2,2-dichloro-3,3-dimethylcyclopropyl)-2-phenylpropanamide
PubChem CID70499721
Molecular FormulaC14H17Cl2NO
Molecular Weight286.20 g/mol
Exact Mass285.07
IUPAC NameN-(2,2-dichloro-3,3-dimethylcyclopropyl)-2-phenylpropanamide
SMILESCC(C(=O)NC1C(C)(C)C1(Cl)Cl)c1ccccc1
InChIInChI=1S/C14H17Cl2NO/c1-9(10-7-5-4-6-8-10)11(18)17-12-13(2,3)14(12,15)16/h4-9,12H,1-3H3,(H,17,18)
InChIKeyNJRZUMFDYFMTCC-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 53.49
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

(2R)-2-amino-2-phenyl-N-(2,2,3,3-tetramethylcyclopropyl)acetamide
CID 79362692
(2S)-2-phenyl-N-sulfanylpropanamide
CID 146642681
cis-(1S,3R)-3-[[(2S)-2-phenylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 120690493
N-acetyl-2-phenylpropanamide
CID 134890422
(2S)-2-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 92978612
(2R)-N-[(2S,3S)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-phenylpropanamide
CID 18646616
(2R)-N-methoxy-2-phenylpropanamide
CID 131067254
N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylpropanamide
CID 70273214
methyl 4-(2-phenylpropanoylamino)cyclohexane-1-carboxylate
CID 104917471
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-2-hydroxy-2-phenylacetamide
CID 79711250
N-(2-chlorophenyl)-2-phenylpropanamide
CID 70678301
N-(1-chloro-3-methoxypropan-2-yl)-2-phenylpropanamide
CID 106182256

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dichloro-3,3-dimethylcyclopropyl)-2-phenylpropanamide?
The IUPAC name of N-(2,2-dichloro-3,3-dimethylcyclopropyl)-2-phenylpropanamide (CID 70499721) is N-(2,2-dichloro-3,3-dimethylcyclopropyl)-2-phenylpropanamide.
What is the SMILES notation for N-(2,2-dichloro-3,3-dimethylcyclopropyl)-2-phenylpropanamide?
The canonical SMILES for N-(2,2-dichloro-3,3-dimethylcyclopropyl)-2-phenylpropanamide is CC(C(=O)NC1C(C)(C)C1(Cl)Cl)c1ccccc1.
What is the InChIKey of N-(2,2-dichloro-3,3-dimethylcyclopropyl)-2-phenylpropanamide?
The InChIKey is NJRZUMFDYFMTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO/c1-9(10-7-5-4-6-8-10)11(18)17-12-13(2,3)14(12,15)16/h4-9,12H,1-3H3,(H,17,18).
What are the key properties of N-(2,2-dichloro-3,3-dimethylcyclopropyl)-2-phenylpropanamide?
N-(2,2-dichloro-3,3-dimethylcyclopropyl)-2-phenylpropanamide has a molecular weight of 286.20 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dichloro-3,3-dimethylcyclopropyl)-2-phenylpropanamide is sourced from PubChem (CID 70499721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).