2-chloro-2-(2-cyclopropylphenyl)-N-propan-2-ylacetamide

C14H18ClNO — CID 79978332

IUPAC2-chloro-2-(2-cyclopropylphenyl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(Cl)c1ccccc1C1CC1
InChIInChI=1S/C14H18ClNO/c1-9(2)16-14(17)13(15)12-6-4-3-5-11(12)10-7-8-10/h3-6,9-10,13H,7-8H2,1-2H3,(H,16,17)
InChIKeyWKGSJHDXLOZBNY-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.37
Rot. Bonds4

About 2-chloro-2-(2-cyclopropylphenyl)-N-propan-2-ylacetamide

2-chloro-2-(2-cyclopropylphenyl)-N-propan-2-ylacetamide (PubChem CID 79978332) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 2-chloro-2-(2-cyclopropylphenyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-chloro-2-(2-cyclopropylphenyl)-N-propan-2-ylacetamide
PubChem CID79978332
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name2-chloro-2-(2-cyclopropylphenyl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(Cl)c1ccccc1C1CC1
InChIInChI=1S/C14H18ClNO/c1-9(2)16-14(17)13(15)12-6-4-3-5-11(12)10-7-8-10/h3-6,9-10,13H,7-8H2,1-2H3,(H,16,17)
InChIKeyWKGSJHDXLOZBNY-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.37
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

2-chloro-2-(2-methylphenyl)-N-propan-2-ylacetamide
CID 62224401
2-chloro-2-(2-methoxyphenyl)-N-propan-2-ylacetamide
CID 62224229
methyl 2-(2-cyclobutylphenyl)-3-methylbutanoate
CID 114605730
1-(3-chlorobutan-2-yl)-2-cyclobutylbenzene
CID 114605798
azane;1-cyclopropyl-2-(dichloromethyl)benzene
CID 175153933
1-(2-cyclopropylphenyl)-2-(propan-2-ylamino)ethanol
CID 79982949
4-amino-3-(2-cyclopropylphenyl)pentanoic acid
CID 79983405
(3R)-3-acetamido-3-(2-cyclopropylphenyl)propanoic acid
CID 79978199
4-chloro-4-(2-cyclopropylphenyl)butanoic acid
CID 103440168
2-(2-cyclopropylphenyl)-2-(2-methylpropylamino)acetamide
CID 79982650
2-(2-cyclopropylphenyl)-2-(3-hydroxybutan-2-yloxy)acetic acid
CID 103377760
2-chloro-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 62226466

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(2-cyclopropylphenyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-chloro-2-(2-cyclopropylphenyl)-N-propan-2-ylacetamide (CID 79978332) is 2-chloro-2-(2-cyclopropylphenyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-chloro-2-(2-cyclopropylphenyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-chloro-2-(2-cyclopropylphenyl)-N-propan-2-ylacetamide is CC(C)NC(=O)C(Cl)c1ccccc1C1CC1.
What is the InChIKey of 2-chloro-2-(2-cyclopropylphenyl)-N-propan-2-ylacetamide?
The InChIKey is WKGSJHDXLOZBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-9(2)16-14(17)13(15)12-6-4-3-5-11(12)10-7-8-10/h3-6,9-10,13H,7-8H2,1-2H3,(H,16,17).
What are the key properties of 2-chloro-2-(2-cyclopropylphenyl)-N-propan-2-ylacetamide?
2-chloro-2-(2-cyclopropylphenyl)-N-propan-2-ylacetamide has a molecular weight of 251.76 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(2-cyclopropylphenyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 79978332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).