N-butyl-2-(4-chlorophenyl)-2-cyclopropylacetamide

C15H20ClNO — CID 110301065

IUPACN-butyl-2-(4-chlorophenyl)-2-cyclopropylacetamide
SMILESCCCCNC(=O)C(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C15H20ClNO/c1-2-3-10-17-15(18)14(11-4-5-11)12-6-8-13(16)9-7-12/h6-9,11,14H,2-5,10H2,1H3,(H,17,18)
InChIKeyXPSJCJJTZDRFCN-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.75
Rot. Bonds6

About N-butyl-2-(4-chlorophenyl)-2-cyclopropylacetamide

N-butyl-2-(4-chlorophenyl)-2-cyclopropylacetamide (PubChem CID 110301065) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is N-butyl-2-(4-chlorophenyl)-2-cyclopropylacetamide.

Molecular Properties

Compound NameN-butyl-2-(4-chlorophenyl)-2-cyclopropylacetamide
PubChem CID110301065
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC NameN-butyl-2-(4-chlorophenyl)-2-cyclopropylacetamide
SMILESCCCCNC(=O)C(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C15H20ClNO/c1-2-3-10-17-15(18)14(11-4-5-11)12-6-8-13(16)9-7-12/h6-9,11,14H,2-5,10H2,1H3,(H,17,18)
InChIKeyXPSJCJJTZDRFCN-UHFFFAOYSA-N
XLogP3.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2-(4-chlorophenyl)-2-cyclopropyl-N-(2-propan-2-yloxyethyl)acetamide
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2-(4-chlorophenyl)-2-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]acetamide
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2-(4-chlorophenyl)-2-cyclopropyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide
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2-(4-chlorophenyl)-2-cyclopropyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide
CID 110309152
2-cyclopropyl-2-(4-fluorophenyl)-N-(4-methoxybutyl)acetamide
CID 110610202
N-butyl-2-(4-chloroanilino)propanamide
CID 43112925
3-butyl-1-[1-(4-chlorophenyl)ethyl]-1-methylurea
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N-butyl-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
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(3R)-N-butyl-3-(4-chlorophenyl)but-1-en-2-amine
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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4-chlorophenyl)-2-cyclopropylacetamide?
The IUPAC name of N-butyl-2-(4-chlorophenyl)-2-cyclopropylacetamide (CID 110301065) is N-butyl-2-(4-chlorophenyl)-2-cyclopropylacetamide.
What is the SMILES notation for N-butyl-2-(4-chlorophenyl)-2-cyclopropylacetamide?
The canonical SMILES for N-butyl-2-(4-chlorophenyl)-2-cyclopropylacetamide is CCCCNC(=O)C(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of N-butyl-2-(4-chlorophenyl)-2-cyclopropylacetamide?
The InChIKey is XPSJCJJTZDRFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-2-3-10-17-15(18)14(11-4-5-11)12-6-8-13(16)9-7-12/h6-9,11,14H,2-5,10H2,1H3,(H,17,18).
What are the key properties of N-butyl-2-(4-chlorophenyl)-2-cyclopropylacetamide?
N-butyl-2-(4-chlorophenyl)-2-cyclopropylacetamide has a molecular weight of 265.78 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4-chlorophenyl)-2-cyclopropylacetamide is sourced from PubChem (CID 110301065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).