N-butan-2-yl-2-chloropropanamide

C7H14ClNO — CID 14711532

IUPACN-butan-2-yl-2-chloropropanamide
SMILESCCC(C)NC(=O)C(C)Cl
InChIInChI=1S/C7H14ClNO/c1-4-5(2)9-7(10)6(3)8/h5-6H,4H2,1-3H3,(H,9,10)
InChIKeyRECKOKCQSMADRC-UHFFFAOYSA-N
MW163.65 g/mol
LogP1.53
Rot. Bonds3

About N-butan-2-yl-2-chloropropanamide

N-butan-2-yl-2-chloropropanamide (PubChem CID 14711532) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is N-butan-2-yl-2-chloropropanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-chloropropanamide
PubChem CID14711532
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC NameN-butan-2-yl-2-chloropropanamide
SMILESCCC(C)NC(=O)C(C)Cl
InChIInChI=1S/C7H14ClNO/c1-4-5(2)9-7(10)6(3)8/h5-6H,4H2,1-3H3,(H,9,10)
InChIKeyRECKOKCQSMADRC-UHFFFAOYSA-N
XLogP1.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 51.53
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 N-butan-2-yl-2-chloropropanamide?
The IUPAC name of N-butan-2-yl-2-chloropropanamide (CID 14711532) is N-butan-2-yl-2-chloropropanamide.
What is the SMILES notation for N-butan-2-yl-2-chloropropanamide?
The canonical SMILES for N-butan-2-yl-2-chloropropanamide is CCC(C)NC(=O)C(C)Cl.
What is the InChIKey of N-butan-2-yl-2-chloropropanamide?
The InChIKey is RECKOKCQSMADRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO/c1-4-5(2)9-7(10)6(3)8/h5-6H,4H2,1-3H3,(H,9,10).
What are the key properties of N-butan-2-yl-2-chloropropanamide?
N-butan-2-yl-2-chloropropanamide has a molecular weight of 163.65 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-chloropropanamide is sourced from PubChem (CID 14711532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).