3-chloro-N-(3-pentylphenyl)propanamide

C14H20ClNO — CID 46837314

IUPAC3-chloro-N-(3-pentylphenyl)propanamide
SMILESCCCCCc1cccc(NC(=O)CCCl)c1
InChIInChI=1S/C14H20ClNO/c1-2-3-4-6-12-7-5-8-13(11-12)16-14(17)9-10-15/h5,7-8,11H,2-4,6,9-10H2,1H3,(H,16,17)
InChIKeyGHEYCOYOYCYGQM-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.99
Rot. Bonds7

About 3-chloro-N-(3-pentylphenyl)propanamide

3-chloro-N-(3-pentylphenyl)propanamide (PubChem CID 46837314) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 3-chloro-N-(3-pentylphenyl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(3-pentylphenyl)propanamide
PubChem CID46837314
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name3-chloro-N-(3-pentylphenyl)propanamide
SMILESCCCCCc1cccc(NC(=O)CCCl)c1
InChIInChI=1S/C14H20ClNO/c1-2-3-4-6-12-7-5-8-13(11-12)16-14(17)9-10-15/h5,7-8,11H,2-4,6,9-10H2,1H3,(H,16,17)
InChIKeyGHEYCOYOYCYGQM-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
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'}

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Related Compounds

N-[3-(chloromethyl)phenyl]hexanamide
CID 114293212
[4-(3-hexylanilino)-4-oxobutyl]phosphonic acid
CID 130432103
N-[3-[[3-(hexanoylamino)phenyl]methyl]phenyl]hexanamide
CID 101187552
3-[3-(pentanoylamino)phenyl]propanoic acid
CID 28759634
N-(3-ethylphenyl)decanamide
CID 4053743
N-[3-(butanoylamino)phenyl]-4-chlorobutanamide
CID 17187674
3-chloro-N-[3-(propanoylamino)phenyl]propanamide
CID 61251232
2-[3-(hexanoylamino)phenyl]acetic acid
CID 65345952
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]hexanamide
CID 54795554
1-N,2-N,3-N-tris(3-butylphenyl)propane-1,2,3-tricarboxamide
CID 67992270
3-[heptyl(pentyl)amino]-N-[3-[[3-[3-[heptyl(pentyl)amino]propanoylamino]phenyl]methyl]phenyl]propanamide
CID 139954936
3-[methyl(undecyl)amino]-N-[3-[[3-[3-[methyl(undecyl)amino]propanoylamino]phenyl]methyl]phenyl]propanamide
CID 139955149

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-pentylphenyl)propanamide?
The IUPAC name of 3-chloro-N-(3-pentylphenyl)propanamide (CID 46837314) is 3-chloro-N-(3-pentylphenyl)propanamide.
What is the SMILES notation for 3-chloro-N-(3-pentylphenyl)propanamide?
The canonical SMILES for 3-chloro-N-(3-pentylphenyl)propanamide is CCCCCc1cccc(NC(=O)CCCl)c1.
What is the InChIKey of 3-chloro-N-(3-pentylphenyl)propanamide?
The InChIKey is GHEYCOYOYCYGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-2-3-4-6-12-7-5-8-13(11-12)16-14(17)9-10-15/h5,7-8,11H,2-4,6,9-10H2,1H3,(H,16,17).
What are the key properties of 3-chloro-N-(3-pentylphenyl)propanamide?
3-chloro-N-(3-pentylphenyl)propanamide has a molecular weight of 253.77 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-pentylphenyl)propanamide is sourced from PubChem (CID 46837314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).