N-(1-chlorobutan-2-yl)-4-methylpentanamide

C10H20ClNO — CID 114294455

IUPACN-(1-chlorobutan-2-yl)-4-methylpentanamide
SMILESCCC(CCl)NC(=O)CCC(C)C
InChIInChI=1S/C10H20ClNO/c1-4-9(7-11)12-10(13)6-5-8(2)3/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKeyQZKWEGNGROXNIP-UHFFFAOYSA-N
MW205.73 g/mol
LogP2.56
Rot. Bonds6

About N-(1-chlorobutan-2-yl)-4-methylpentanamide

N-(1-chlorobutan-2-yl)-4-methylpentanamide (PubChem CID 114294455) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is N-(1-chlorobutan-2-yl)-4-methylpentanamide.

Molecular Properties

Compound NameN-(1-chlorobutan-2-yl)-4-methylpentanamide
PubChem CID114294455
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC NameN-(1-chlorobutan-2-yl)-4-methylpentanamide
SMILESCCC(CCl)NC(=O)CCC(C)C
InChIInChI=1S/C10H20ClNO/c1-4-9(7-11)12-10(13)6-5-8(2)3/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKeyQZKWEGNGROXNIP-UHFFFAOYSA-N
XLogP2.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 52.56
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-3-methoxypropan-2-yl)-4-methylpentanamide
CID 106183361
3-chloro-N-pentan-3-ylpropanamide
CID 16783824
4-chloro-N-pentan-3-ylbutanamide
CID 16788679
N-(1-aminopentan-2-yl)-4-methylpentanamide
CID 65190982
N-(1-chlorobutan-2-yl)-4-phenylbutanamide
CID 114294201
N-(1-chloro-4-methylpentan-2-yl)-3-methylpentanamide
CID 114876936
3-hydroxy-N-pentan-3-ylpropanamide
CID 57208434
5-amino-N-pentan-3-ylhexanamide
CID 82848944
4-methyl-N-[(2S)-3-oxobutan-2-yl]pentanamide
CID 129136562
N-(1-chloro-4-methylpentan-2-yl)-3-methylbutanamide
CID 114300786
2-chloro-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 12032305
N-pentan-3-yldocosanamide
CID 123339332

Frequently Asked Questions

What is the IUPAC name of N-(1-chlorobutan-2-yl)-4-methylpentanamide?
The IUPAC name of N-(1-chlorobutan-2-yl)-4-methylpentanamide (CID 114294455) is N-(1-chlorobutan-2-yl)-4-methylpentanamide.
What is the SMILES notation for N-(1-chlorobutan-2-yl)-4-methylpentanamide?
The canonical SMILES for N-(1-chlorobutan-2-yl)-4-methylpentanamide is CCC(CCl)NC(=O)CCC(C)C.
What is the InChIKey of N-(1-chlorobutan-2-yl)-4-methylpentanamide?
The InChIKey is QZKWEGNGROXNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-4-9(7-11)12-10(13)6-5-8(2)3/h8-9H,4-7H2,1-3H3,(H,12,13).
What are the key properties of N-(1-chlorobutan-2-yl)-4-methylpentanamide?
N-(1-chlorobutan-2-yl)-4-methylpentanamide has a molecular weight of 205.73 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chlorobutan-2-yl)-4-methylpentanamide is sourced from PubChem (CID 114294455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).