2-chloro-N-(1-cyclopropylbutan-2-yl)propanamide

C10H18ClNO — CID 63996428

IUPAC2-chloro-N-(1-cyclopropylbutan-2-yl)propanamide
SMILESCCC(CC1CC1)NC(=O)C(C)Cl
InChIInChI=1S/C10H18ClNO/c1-3-9(6-8-4-5-8)12-10(13)7(2)11/h7-9H,3-6H2,1-2H3,(H,12,13)
InChIKeyUMDPNFOFPNLFGU-UHFFFAOYSA-N
MW203.71 g/mol
LogP2.31
Rot. Bonds5

About 2-chloro-N-(1-cyclopropylbutan-2-yl)propanamide

2-chloro-N-(1-cyclopropylbutan-2-yl)propanamide (PubChem CID 63996428) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 2-chloro-N-(1-cyclopropylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(1-cyclopropylbutan-2-yl)propanamide
PubChem CID63996428
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name2-chloro-N-(1-cyclopropylbutan-2-yl)propanamide
SMILESCCC(CC1CC1)NC(=O)C(C)Cl
InChIInChI=1S/C10H18ClNO/c1-3-9(6-8-4-5-8)12-10(13)7(2)11/h7-9H,3-6H2,1-2H3,(H,12,13)
InChIKeyUMDPNFOFPNLFGU-UHFFFAOYSA-N
XLogP2.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-cyclopropylbutan-2-yl)propanamide?
The IUPAC name of 2-chloro-N-(1-cyclopropylbutan-2-yl)propanamide (CID 63996428) is 2-chloro-N-(1-cyclopropylbutan-2-yl)propanamide.
What is the SMILES notation for 2-chloro-N-(1-cyclopropylbutan-2-yl)propanamide?
The canonical SMILES for 2-chloro-N-(1-cyclopropylbutan-2-yl)propanamide is CCC(CC1CC1)NC(=O)C(C)Cl.
What is the InChIKey of 2-chloro-N-(1-cyclopropylbutan-2-yl)propanamide?
The InChIKey is UMDPNFOFPNLFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-3-9(6-8-4-5-8)12-10(13)7(2)11/h7-9H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-chloro-N-(1-cyclopropylbutan-2-yl)propanamide?
2-chloro-N-(1-cyclopropylbutan-2-yl)propanamide has a molecular weight of 203.71 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-cyclopropylbutan-2-yl)propanamide is sourced from PubChem (CID 63996428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).