N-[3-(butanoylamino)phenyl]-4-chlorobutanamide

C14H19ClN2O2 — CID 17187674

IUPACN-[3-(butanoylamino)phenyl]-4-chlorobutanamide
SMILESCCCC(=O)Nc1cccc(NC(=O)CCCCl)c1
InChIInChI=1S/C14H19ClN2O2/c1-2-5-13(18)16-11-6-3-7-12(10-11)17-14(19)8-4-9-15/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,16,18)(H,17,19)
InChIKeyHVSYAROTSNGNCC-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.38
Rot. Bonds7

About N-[3-(butanoylamino)phenyl]-4-chlorobutanamide

N-[3-(butanoylamino)phenyl]-4-chlorobutanamide (PubChem CID 17187674) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-[3-(butanoylamino)phenyl]-4-chlorobutanamide.

Molecular Properties

Compound NameN-[3-(butanoylamino)phenyl]-4-chlorobutanamide
PubChem CID17187674
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN-[3-(butanoylamino)phenyl]-4-chlorobutanamide
SMILESCCCC(=O)Nc1cccc(NC(=O)CCCCl)c1
InChIInChI=1S/C14H19ClN2O2/c1-2-5-13(18)16-11-6-3-7-12(10-11)17-14(19)8-4-9-15/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,16,18)(H,17,19)
InChIKeyHVSYAROTSNGNCC-UHFFFAOYSA-N
XLogP3.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[3-(propanoylamino)phenyl]propanamide
CID 61251232
N,N'-bis[3-(propanoylamino)phenyl]nonanediamide
CID 17188809
3-chloro-N-(3-pentylphenyl)propanamide
CID 46837314
N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 17189167
N-[3-(chloromethyl)phenyl]hexanamide
CID 114293212
N-[3-(phenylcarbamoylamino)phenyl]pentanamide
CID 51326660
N-[3-[(2-bromoacetyl)amino]phenyl]hexanamide
CID 46736711
N-[3-(butanoylamino)phenyl]-2-chlorobenzamide
CID 17187534
4-chloro-N-(3-phenoxyphenyl)butanamide
CID 63308949
N-[3-(butanoylamino)phenyl]cyclopropanecarboxamide
CID 17187554
3-(butanoylamino)benzoate
CID 5092431
5-chloro-N-[3-[(dimethylamino)methyl]phenyl]pentanamide
CID 43697963

Frequently Asked Questions

What is the IUPAC name of N-[3-(butanoylamino)phenyl]-4-chlorobutanamide?
The IUPAC name of N-[3-(butanoylamino)phenyl]-4-chlorobutanamide (CID 17187674) is N-[3-(butanoylamino)phenyl]-4-chlorobutanamide.
What is the SMILES notation for N-[3-(butanoylamino)phenyl]-4-chlorobutanamide?
The canonical SMILES for N-[3-(butanoylamino)phenyl]-4-chlorobutanamide is CCCC(=O)Nc1cccc(NC(=O)CCCCl)c1.
What is the InChIKey of N-[3-(butanoylamino)phenyl]-4-chlorobutanamide?
The InChIKey is HVSYAROTSNGNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-2-5-13(18)16-11-6-3-7-12(10-11)17-14(19)8-4-9-15/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[3-(butanoylamino)phenyl]-4-chlorobutanamide?
N-[3-(butanoylamino)phenyl]-4-chlorobutanamide has a molecular weight of 282.77 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butanoylamino)phenyl]-4-chlorobutanamide is sourced from PubChem (CID 17187674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).