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

C8H16ClNO — CID 114303581

IUPACN-(1-chloro-2-methylbutan-2-yl)propanamide
SMILESCCC(=O)NC(C)(CC)CCl
InChIInChI=1S/C8H16ClNO/c1-4-7(11)10-8(3,5-2)6-9/h4-6H2,1-3H3,(H,10,11)
InChIKeyGBOURBVSTGMWQM-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.92
Rot. Bonds4

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

N-(1-chloro-2-methylbutan-2-yl)propanamide (PubChem CID 114303581) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is N-(1-chloro-2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound NameN-(1-chloro-2-methylbutan-2-yl)propanamide
PubChem CID114303581
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC NameN-(1-chloro-2-methylbutan-2-yl)propanamide
SMILESCCC(=O)NC(C)(CC)CCl
InChIInChI=1S/C8H16ClNO/c1-4-7(11)10-8(3,5-2)6-9/h4-6H2,1-3H3,(H,10,11)
InChIKeyGBOURBVSTGMWQM-UHFFFAOYSA-N
XLogP1.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.92
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

N-(1-chloro-2-methylbutan-2-yl)-3,3,3-trifluoropropanamide
CID 114303828
N-(1-chloro-2-methylbutan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604100
N-(1-hydroxy-3-methylpentan-3-yl)propanamide
CID 103946136
N-(1-chloro-2-methylbutan-2-yl)cyclopropanecarboxamide
CID 114303630
N-(1-chloro-2-methylbutan-2-yl)-2-(3,4-difluorophenyl)acetamide
CID 114303730
N-(1-chloro-2-methylbutan-2-yl)-2-(2-methoxyphenyl)acetamide
CID 114303827
N-(1-chloro-2-methylbutan-2-yl)cyclohexanecarboxamide
CID 114303618
N-(1-chloro-2-methylbutan-2-yl)-1-methylcyclohexane-1-carboxamide
CID 106829007
2-chloro-N-(1-chloro-2-methylbutan-2-yl)benzamide
CID 114303738
N-(1-chloro-3-methylpentan-3-yl)-2-cyclobutylacetamide
CID 106168566
N-(1-chloro-2-methylbutan-2-yl)-2-fluorobenzamide
CID 114303803
2-(1,2-benzoxazol-3-yl)-N-(1-chloro-2-methylbutan-2-yl)acetamide
CID 114303639

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2-methylbutan-2-yl)propanamide?
The IUPAC name of N-(1-chloro-2-methylbutan-2-yl)propanamide (CID 114303581) is N-(1-chloro-2-methylbutan-2-yl)propanamide.
What is the SMILES notation for N-(1-chloro-2-methylbutan-2-yl)propanamide?
The canonical SMILES for N-(1-chloro-2-methylbutan-2-yl)propanamide is CCC(=O)NC(C)(CC)CCl.
What is the InChIKey of N-(1-chloro-2-methylbutan-2-yl)propanamide?
The InChIKey is GBOURBVSTGMWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO/c1-4-7(11)10-8(3,5-2)6-9/h4-6H2,1-3H3,(H,10,11).
What are the key properties of N-(1-chloro-2-methylbutan-2-yl)propanamide?
N-(1-chloro-2-methylbutan-2-yl)propanamide has a molecular weight of 177.67 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 114303581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).