N-(1-chloro-4,4-dimethylpentan-3-yl)-2-phenylcyclopropane-1-carboxamide

C17H24ClNO — CID 106355534

IUPACN-(1-chloro-4,4-dimethylpentan-3-yl)-2-phenylcyclopropane-1-carboxamide
SMILESCC(C)(C)C(CCCl)NC(=O)C1CC1c1ccccc1
InChIInChI=1S/C17H24ClNO/c1-17(2,3)15(9-10-18)19-16(20)14-11-13(14)12-7-5-4-6-8-12/h4-8,13-15H,9-11H2,1-3H3,(H,19,20)
InChIKeyWUFQLLFBKBPKDG-UHFFFAOYSA-N
MW293.84 g/mol
LogP3.95
Rot. Bonds5

About N-(1-chloro-4,4-dimethylpentan-3-yl)-2-phenylcyclopropane-1-carboxamide

N-(1-chloro-4,4-dimethylpentan-3-yl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 106355534) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is N-(1-chloro-4,4-dimethylpentan-3-yl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-chloro-4,4-dimethylpentan-3-yl)-2-phenylcyclopropane-1-carboxamide
PubChem CID106355534
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC NameN-(1-chloro-4,4-dimethylpentan-3-yl)-2-phenylcyclopropane-1-carboxamide
SMILESCC(C)(C)C(CCCl)NC(=O)C1CC1c1ccccc1
InChIInChI=1S/C17H24ClNO/c1-17(2,3)15(9-10-18)19-16(20)14-11-13(14)12-7-5-4-6-8-12/h4-8,13-15H,9-11H2,1-3H3,(H,19,20)
InChIKeyWUFQLLFBKBPKDG-UHFFFAOYSA-N
XLogP3.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 53.95
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

(1R)-2-phenyl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide
CID 58363591
N-(4-bromobutan-2-yl)-2-phenylcyclopropane-1-carboxamide
CID 83180682
2-phenyl-N-(4-phenylbutan-2-yl)cyclopropane-1-carboxamide
CID 4072324
(2R)-4-hydroxy-2-[(2-phenylcyclopropanecarbonyl)amino]butanoic acid
CID 107823606
(2S)-2-[(2-phenylcyclopropanecarbonyl)amino]hexanoic acid
CID 107144642
N-(2-hydroxy-2-methylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 79039782
(1R)-N-[(2S)-1-amino-1-oxobutan-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 58155377
N-(1-chloro-4,4-dimethylpentan-3-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 106355848
cis-(1S,2R)-N'-(2-chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide
CID 689551
N-(1-chloro-4,4-dimethylpentan-3-yl)-2-(2-hydroxyphenyl)acetamide
CID 106355515
ethane;(2R)-N-(2-methoxy-2-methyl-4-oxopentan-3-yl)-2-phenylcyclopropane-1-carboxamide
CID 145466629
2-chloro-1-[(1S,2R)-2-phenylcyclopropyl]ethanone
CID 164769669

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4,4-dimethylpentan-3-yl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(1-chloro-4,4-dimethylpentan-3-yl)-2-phenylcyclopropane-1-carboxamide (CID 106355534) is N-(1-chloro-4,4-dimethylpentan-3-yl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-chloro-4,4-dimethylpentan-3-yl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(1-chloro-4,4-dimethylpentan-3-yl)-2-phenylcyclopropane-1-carboxamide is CC(C)(C)C(CCCl)NC(=O)C1CC1c1ccccc1.
What is the InChIKey of N-(1-chloro-4,4-dimethylpentan-3-yl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is WUFQLLFBKBPKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-17(2,3)15(9-10-18)19-16(20)14-11-13(14)12-7-5-4-6-8-12/h4-8,13-15H,9-11H2,1-3H3,(H,19,20).
What are the key properties of N-(1-chloro-4,4-dimethylpentan-3-yl)-2-phenylcyclopropane-1-carboxamide?
N-(1-chloro-4,4-dimethylpentan-3-yl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 293.84 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4,4-dimethylpentan-3-yl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 106355534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).