N-(1-chloro-4-methylpentan-2-yl)-3-methylbutanamide

C11H22ClNO — CID 114300786

IUPACN-(1-chloro-4-methylpentan-2-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)NC(CCl)CC(C)C
InChIInChI=1S/C11H22ClNO/c1-8(2)5-10(7-12)13-11(14)6-9(3)4/h8-10H,5-7H2,1-4H3,(H,13,14)
InChIKeyBGXJZGYZBQNDNS-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.80
Rot. Bonds6

About N-(1-chloro-4-methylpentan-2-yl)-3-methylbutanamide

N-(1-chloro-4-methylpentan-2-yl)-3-methylbutanamide (PubChem CID 114300786) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is N-(1-chloro-4-methylpentan-2-yl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(1-chloro-4-methylpentan-2-yl)-3-methylbutanamide
PubChem CID114300786
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC NameN-(1-chloro-4-methylpentan-2-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)NC(CCl)CC(C)C
InChIInChI=1S/C11H22ClNO/c1-8(2)5-10(7-12)13-11(14)6-9(3)4/h8-10H,5-7H2,1-4H3,(H,13,14)
InChIKeyBGXJZGYZBQNDNS-UHFFFAOYSA-N
XLogP2.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.80
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

4-chloro-N-(2-methylpropyl)butanamide
CID 4381445
Valeramide, 5-chloro-N-isobutyl-
CID 28733372
Valeramide, 5-chloro-N-(3-methylbutyl)-
CID 28733512
Valeramide, 5-chloro-N-(2-ethylhexyl)-
CID 61251666
N-(1-chloro-4-methylpentan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103311007
N-(5-chloro-4-methylpentyl)-4,4,4-trifluorobutanamide
CID 106157214
N-(1-chloro-4-methylpentan-3-yl)-3,3,3-trifluoropropanamide
CID 106354767
N-(1-chloro-4-methylpentan-3-yl)-4,4,4-trifluorobutanamide
CID 106354991
N-(1-chloro-4,4-dimethylpentan-3-yl)-4,4,4-trifluorobutanamide
CID 106355855
N-(2-chloro-4-methylpentyl)-4,4,4-trifluorobutanamide
CID 107157194
N-(1-chloro-4-methylpentan-2-yl)-4,4,4-trifluorobutanamide
CID 114300923
N-(1-chloro-4-methylpentan-2-yl)-3,3,3-trifluoropropanamide
CID 114300977

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4-methylpentan-2-yl)-3-methylbutanamide?
The IUPAC name of N-(1-chloro-4-methylpentan-2-yl)-3-methylbutanamide (CID 114300786) is N-(1-chloro-4-methylpentan-2-yl)-3-methylbutanamide.
What is the SMILES notation for N-(1-chloro-4-methylpentan-2-yl)-3-methylbutanamide?
The canonical SMILES for N-(1-chloro-4-methylpentan-2-yl)-3-methylbutanamide is CC(C)CC(=O)NC(CCl)CC(C)C.
What is the InChIKey of N-(1-chloro-4-methylpentan-2-yl)-3-methylbutanamide?
The InChIKey is BGXJZGYZBQNDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-8(2)5-10(7-12)13-11(14)6-9(3)4/h8-10H,5-7H2,1-4H3,(H,13,14).
What are the key properties of N-(1-chloro-4-methylpentan-2-yl)-3-methylbutanamide?
N-(1-chloro-4-methylpentan-2-yl)-3-methylbutanamide has a molecular weight of 219.76 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4-methylpentan-2-yl)-3-methylbutanamide is sourced from PubChem (CID 114300786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).