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

C14H20ClNO — CID 114294201

IUPACN-(1-chlorobutan-2-yl)-4-phenylbutanamide
SMILESCCC(CCl)NC(=O)CCCc1ccccc1
InChIInChI=1S/C14H20ClNO/c1-2-13(11-15)16-14(17)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3,(H,16,17)
InChIKeyLJUQMVYORJBJMS-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.14
Rot. Bonds7

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

N-(1-chlorobutan-2-yl)-4-phenylbutanamide (PubChem CID 114294201) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is N-(1-chlorobutan-2-yl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-(1-chlorobutan-2-yl)-4-phenylbutanamide
PubChem CID114294201
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC NameN-(1-chlorobutan-2-yl)-4-phenylbutanamide
SMILESCCC(CCl)NC(=O)CCCc1ccccc1
InChIInChI=1S/C14H20ClNO/c1-2-13(11-15)16-14(17)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3,(H,16,17)
InChIKeyLJUQMVYORJBJMS-UHFFFAOYSA-N
XLogP3.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.14
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-phenyl-N-propan-2-ylbutanamide;N-propan-2-yltetradecanamide
CID 160985746
N-(1-cyanobutyl)-4-phenylbutanamide
CID 61119296
4-(methylamino)-N-(1-phenylbutan-2-yl)butanamide
CID 119766314
4-(methylamino)-N-(1-phenylbutan-2-yl)butanamide;hydrochloride
CID 119766313
N-pentan-3-yl-2-(2-phenylethylamino)acetamide
CID 60671321
N-(1-chlorobutan-2-yl)-2-(3-hydroxyphenyl)acetamide
CID 114294400
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
3-(4-chlorophenyl)-N-pentan-3-ylpropanamide
CID 94500233
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
N-pent-4-yn-2-yl-4-phenylbutanamide
CID 115661905
N-(1-cyano-2-methylpropyl)-4-phenylbutanamide
CID 63930626
[3-carboxy-2-(11-phenylundecanoylamino)propyl]-trimethylazanium
CID 68994195

Frequently Asked Questions

What is the IUPAC name of N-(1-chlorobutan-2-yl)-4-phenylbutanamide?
The IUPAC name of N-(1-chlorobutan-2-yl)-4-phenylbutanamide (CID 114294201) is N-(1-chlorobutan-2-yl)-4-phenylbutanamide.
What is the SMILES notation for N-(1-chlorobutan-2-yl)-4-phenylbutanamide?
The canonical SMILES for N-(1-chlorobutan-2-yl)-4-phenylbutanamide is CCC(CCl)NC(=O)CCCc1ccccc1.
What is the InChIKey of N-(1-chlorobutan-2-yl)-4-phenylbutanamide?
The InChIKey is LJUQMVYORJBJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-2-13(11-15)16-14(17)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3,(H,16,17).
What are the key properties of N-(1-chlorobutan-2-yl)-4-phenylbutanamide?
N-(1-chlorobutan-2-yl)-4-phenylbutanamide has a molecular weight of 253.77 g/mol, XLogP of 3.14, 7 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-phenylbutanamide is sourced from PubChem (CID 114294201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).