N-(5-chloropentyl)-2-methylbutanamide

C10H20ClNO — CID 107321428

IUPACN-(5-chloropentyl)-2-methylbutanamide
SMILESCCC(C)C(=O)NCCCCCCl
InChIInChI=1S/C10H20ClNO/c1-3-9(2)10(13)12-8-6-4-5-7-11/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyGRTACLGQMYQYAJ-UHFFFAOYSA-N
MW205.73 g/mol
LogP2.56
Rot. Bonds7

About N-(5-chloropentyl)-2-methylbutanamide

N-(5-chloropentyl)-2-methylbutanamide (PubChem CID 107321428) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is N-(5-chloropentyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(5-chloropentyl)-2-methylbutanamide
PubChem CID107321428
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC NameN-(5-chloropentyl)-2-methylbutanamide
SMILESCCC(C)C(=O)NCCCCCCl
InChIInChI=1S/C10H20ClNO/c1-3-9(2)10(13)12-8-6-4-5-7-11/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyGRTACLGQMYQYAJ-UHFFFAOYSA-N
XLogP2.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(5-chloropentyl)-2-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-chlorohexyl)-2-methylbutanamide
CID 107846649
2-methyl-N-[6-(methylamino)hexyl]butanamide;molecular hydrogen
CID 166111944
7-(2-methylbutanoylamino)heptanoic acid
CID 24690343
N-(6-formamidohexyl)-2-methylbutanamide
CID 143259123
2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]butanamide
CID 166845915
2-methyl-N-nonyldecanamide
CID 141429494
N-[5-[(2-azidoacetyl)amino]pentyl]-2-methylbutanamide
CID 153280143
N-(3-ethoxypropyl)-2-methylbutanamide
CID 88934597
(2S)-3-amino-N-hexyl-2-methylpropanamide
CID 166872434
2-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]butanamide
CID 59773657
3-chloro-N-[3-(dimethylamino)propyl]-2-methylpropanamide
CID 62729377
5-chloro-N-nonylpentanamide
CID 91692760

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentyl)-2-methylbutanamide?
The IUPAC name of N-(5-chloropentyl)-2-methylbutanamide (CID 107321428) is N-(5-chloropentyl)-2-methylbutanamide.
What is the SMILES notation for N-(5-chloropentyl)-2-methylbutanamide?
The canonical SMILES for N-(5-chloropentyl)-2-methylbutanamide is CCC(C)C(=O)NCCCCCCl.
What is the InChIKey of N-(5-chloropentyl)-2-methylbutanamide?
The InChIKey is GRTACLGQMYQYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO/c1-3-9(2)10(13)12-8-6-4-5-7-11/h9H,3-8H2,1-2H3,(H,12,13).
What are the key properties of N-(5-chloropentyl)-2-methylbutanamide?
N-(5-chloropentyl)-2-methylbutanamide has a molecular weight of 205.73 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentyl)-2-methylbutanamide is sourced from PubChem (CID 107321428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).