N-[(4-fluorophenyl)methyl]-N-pentylformamide

C13H18FNO — CID 177471699

IUPACN-[(4-fluorophenyl)methyl]-N-pentylformamide
SMILESCCCCCN(C=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H18FNO/c1-2-3-4-9-15(11-16)10-12-5-7-13(14)8-6-12/h5-8,11H,2-4,9-10H2,1H3
InChIKeyBZNOLQAPYGZIKD-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.97
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-N-pentylformamide

N-[(4-fluorophenyl)methyl]-N-pentylformamide (PubChem CID 177471699) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-pentylformamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-pentylformamide
PubChem CID177471699
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC NameN-[(4-fluorophenyl)methyl]-N-pentylformamide
SMILESCCCCCN(C=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H18FNO/c1-2-3-4-9-15(11-16)10-12-5-7-13(14)8-6-12/h5-8,11H,2-4,9-10H2,1H3
InChIKeyBZNOLQAPYGZIKD-UHFFFAOYSA-N
XLogP2.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

N-butyl-N-[(4-fluorophenyl)methyl]butan-1-amine
CID 6422133
methyl 4-[[butyl(formyl)amino]methyl]benzoate
CID 146670056
N-decyl-N-dodecylformamide
CID 174803125
N-hexyl-N-octylformamide
CID 169189817
N-benzyl-N-[8-(dimethylamino)octyl]formamide
CID 173398538
2-amino-N-[(4-fluorophenyl)methyl]-N-pentylacetamide;hydrochloride
CID 119270984
N-butyl-N-octadecylformamide
CID 54030417
4-[(4-fluorophenyl)methyl-methylamino]butanal
CID 176696174
N-(2-chloroethyl)-N-[(4-fluorophenyl)methyl]butan-1-amine
CID 63389177
N-ethyl-N-hexylformamide
CID 54565973
N-benzyl-N-[4-(4-fluorophenyl)-3-phenylbutyl]formamide
CID 175469141
(Z)-N-ethyl-N-[(4-fluorophenyl)methyl]prop-1-en-1-amine
CID 143197162

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-pentylformamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-pentylformamide (CID 177471699) is N-[(4-fluorophenyl)methyl]-N-pentylformamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-pentylformamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-pentylformamide is CCCCCN(C=O)Cc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-pentylformamide?
The InChIKey is BZNOLQAPYGZIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-2-3-4-9-15(11-16)10-12-5-7-13(14)8-6-12/h5-8,11H,2-4,9-10H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-pentylformamide?
N-[(4-fluorophenyl)methyl]-N-pentylformamide has a molecular weight of 223.29 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-pentylformamide is sourced from PubChem (CID 177471699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).