2-chloro-N-(1-cyclohexylpropyl)acetamide

C11H20ClNO — CID 62407197

IUPAC2-chloro-N-(1-cyclohexylpropyl)acetamide
SMILESCCC(NC(=O)CCl)C1CCCCC1
InChIInChI=1S/C11H20ClNO/c1-2-10(13-11(14)8-12)9-6-4-3-5-7-9/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyQXTBRKINCBNDKH-UHFFFAOYSA-N
MW217.74 g/mol
LogP2.70
Rot. Bonds4

About 2-chloro-N-(1-cyclohexylpropyl)acetamide

2-chloro-N-(1-cyclohexylpropyl)acetamide (PubChem CID 62407197) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is 2-chloro-N-(1-cyclohexylpropyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(1-cyclohexylpropyl)acetamide
PubChem CID62407197
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name2-chloro-N-(1-cyclohexylpropyl)acetamide
SMILESCCC(NC(=O)CCl)C1CCCCC1
InChIInChI=1S/C11H20ClNO/c1-2-10(13-11(14)8-12)9-6-4-3-5-7-9/h9-10H,2-8H2,1H3,(H,13,14)
InChIKeyQXTBRKINCBNDKH-UHFFFAOYSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.70
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

ethyl 3-[(2-chloroacetyl)amino]-3-cycloheptylpropanoate
CID 136575188
N-(1-cyclohexylpropyl)acetamide
CID 45119320
2-cyano-N-(1-cyclohexylpropyl)acetamide
CID 62405971
(3Z)-3-amino-N-(1-cyclohexylpropyl)-3-hydroxyiminopropanamide
CID 55209783
2-bromo-N-(1-cyclohexylpropyl)propanamide
CID 107905149
N-(1-cyclobutylpropyl)acetamide
CID 127002620
1-cyclohexylpropylthiourea
CID 62407553
N-(1-cyclohexylpropyl)-2-(ethylamino)-2-methylpropanamide
CID 62834265
2-(aminomethyl)-N-(1-cyclohexylpropyl)-3-methylbutanamide
CID 62406666
2-(1-cyclohexylpropylcarbamoylamino)-3-methylbutanoic acid
CID 62406363
2-(1-cyclohexylpropylcarbamoylamino)-2-methylpropanoic acid
CID 62405641
N-(cyanomethyl)-N'-(1-cyclohexylpropyl)oxamide
CID 62406161

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-cyclohexylpropyl)acetamide?
The IUPAC name of 2-chloro-N-(1-cyclohexylpropyl)acetamide (CID 62407197) is 2-chloro-N-(1-cyclohexylpropyl)acetamide.
What is the SMILES notation for 2-chloro-N-(1-cyclohexylpropyl)acetamide?
The canonical SMILES for 2-chloro-N-(1-cyclohexylpropyl)acetamide is CCC(NC(=O)CCl)C1CCCCC1.
What is the InChIKey of 2-chloro-N-(1-cyclohexylpropyl)acetamide?
The InChIKey is QXTBRKINCBNDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO/c1-2-10(13-11(14)8-12)9-6-4-3-5-7-9/h9-10H,2-8H2,1H3,(H,13,14).
What are the key properties of 2-chloro-N-(1-cyclohexylpropyl)acetamide?
2-chloro-N-(1-cyclohexylpropyl)acetamide has a molecular weight of 217.74 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-cyclohexylpropyl)acetamide is sourced from PubChem (CID 62407197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).