N-butyl-4-formylbenzamide

C12H15NO2 — CID 118474745

IUPACN-butyl-4-formylbenzamide
SMILESCCCCNC(=O)c1ccc(C=O)cc1
InChIInChI=1S/C12H15NO2/c1-2-3-8-13-12(15)11-6-4-10(9-14)5-7-11/h4-7,9H,2-3,8H2,1H3,(H,13,15)
InChIKeyYTDFWAXPKICENS-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.03
Rot. Bonds5

About N-butyl-4-formylbenzamide

N-butyl-4-formylbenzamide (PubChem CID 118474745) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-butyl-4-formylbenzamide.

Molecular Properties

Compound NameN-butyl-4-formylbenzamide
PubChem CID118474745
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN-butyl-4-formylbenzamide
SMILESCCCCNC(=O)c1ccc(C=O)cc1
InChIInChI=1S/C12H15NO2/c1-2-3-8-13-12(15)11-6-4-10(9-14)5-7-11/h4-7,9H,2-3,8H2,1H3,(H,13,15)
InChIKeyYTDFWAXPKICENS-UHFFFAOYSA-N
XLogP2.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-formyl-N-octylbenzamide
CID 59691779
4-formyl-N-tricosylbenzamide
CID 166066746
4-formyl-N-[[(4-formylbenzoyl)amino]methyl]benzamide
CID 88940421
N-butyl-4-phenylbenzamide
CID 3637649
N,N'-bis[4-(butylcarbamoyl)phenyl]hexanediamide
CID 17195940
N,N'-bis[4-(butylcarbamoyl)phenyl]pentanediamide
CID 17195941
N-butylpyridine-4-carboxamide
CID 5030535
N-(2-ethyl-2-hydroxybutyl)-4-formylbenzamide
CID 111463479
N-[2-(butylamino)ethyl]-4-methylbenzamide
CID 54880787
N-butyl-4-isocyanobenzamide
CID 164787175
2-[(4-formylbenzoyl)amino]ethanesulfonic acid
CID 15250596
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-4-formylbenzamide
CID 89427030

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-formylbenzamide?
The IUPAC name of N-butyl-4-formylbenzamide (CID 118474745) is N-butyl-4-formylbenzamide.
What is the SMILES notation for N-butyl-4-formylbenzamide?
The canonical SMILES for N-butyl-4-formylbenzamide is CCCCNC(=O)c1ccc(C=O)cc1.
What is the InChIKey of N-butyl-4-formylbenzamide?
The InChIKey is YTDFWAXPKICENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-2-3-8-13-12(15)11-6-4-10(9-14)5-7-11/h4-7,9H,2-3,8H2,1H3,(H,13,15).
What are the key properties of N-butyl-4-formylbenzamide?
N-butyl-4-formylbenzamide has a molecular weight of 205.26 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-formylbenzamide is sourced from PubChem (CID 118474745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).