N-[4-[3-[1-(4-fluorophenyl)propan-2-ylamino]propyl]phenyl]formamide

C19H23FN2O — CID 155119479

IUPACN-[4-[3-[1-(4-fluorophenyl)propan-2-ylamino]propyl]phenyl]formamide
SMILESCC(Cc1ccc(F)cc1)NCCCc1ccc(NC=O)cc1
InChIInChI=1S/C19H23FN2O/c1-15(13-17-4-8-18(20)9-5-17)21-12-2-3-16-6-10-19(11-7-16)22-14-23/h4-11,14-15,21H,2-3,12-13H2,1H3,(H,22,23)
InChIKeyVWQBNTFCRWSPFW-UHFFFAOYSA-N
MW314.40 g/mol
LogP3.55
Rot. Bonds9

About N-[4-[3-[1-(4-fluorophenyl)propan-2-ylamino]propyl]phenyl]formamide

N-[4-[3-[1-(4-fluorophenyl)propan-2-ylamino]propyl]phenyl]formamide (PubChem CID 155119479) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is N-[4-[3-[1-(4-fluorophenyl)propan-2-ylamino]propyl]phenyl]formamide.

Molecular Properties

Compound NameN-[4-[3-[1-(4-fluorophenyl)propan-2-ylamino]propyl]phenyl]formamide
PubChem CID155119479
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC NameN-[4-[3-[1-(4-fluorophenyl)propan-2-ylamino]propyl]phenyl]formamide
SMILESCC(Cc1ccc(F)cc1)NCCCc1ccc(NC=O)cc1
InChIInChI=1S/C19H23FN2O/c1-15(13-17-4-8-18(20)9-5-17)21-12-2-3-16-6-10-19(11-7-16)22-14-23/h4-11,14-15,21H,2-3,12-13H2,1H3,(H,22,23)
InChIKeyVWQBNTFCRWSPFW-UHFFFAOYSA-N
XLogP3.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 53.55
H-Bond Donors ≤ 52
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

N-[3-[4-(aminomethyl)phenyl]propyl]-1-(4-fluorophenyl)propan-2-amine
CID 165377968
1-(4-fluorophenyl)-N-[3-(4-prop-2-enylphenyl)propyl]propan-2-amine;molecular hydrogen;hydrate
CID 170631487
N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpentan-1-amine
CID 83155525
4-[1-(4-fluorophenyl)propan-2-ylamino]butan-1-ol
CID 62996197
N-[3-(4-fluorophenyl)propyl]-1-(4-pyridin-3-ylphenyl)propan-2-amine
CID 155119456
N-[3-(4-fluorophenyl)propyl]-1-quinoxalin-6-ylpropan-2-amine
CID 165377973
N-[1-(4-fluorophenyl)propan-2-yl]-7-methyloctan-1-amine
CID 114828384
(2R)-1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine
CID 7047069
N-cyclopropyl-4-[1-(4-fluorophenyl)propan-2-ylamino]butanamide
CID 115709702
1-(4-fluorophenyl)-N-(2-methylsulfanylethyl)propan-2-amine
CID 115706199
N-[3-(4-bromophenyl)propyl]-1-(4-fluorophenyl)-3-methylbutan-2-amine
CID 155119476
1-(4-bromophenyl)-N-(3-phenylpropyl)propan-2-amine;hydrochloride
CID 18790284

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[1-(4-fluorophenyl)propan-2-ylamino]propyl]phenyl]formamide?
The IUPAC name of N-[4-[3-[1-(4-fluorophenyl)propan-2-ylamino]propyl]phenyl]formamide (CID 155119479) is N-[4-[3-[1-(4-fluorophenyl)propan-2-ylamino]propyl]phenyl]formamide.
What is the SMILES notation for N-[4-[3-[1-(4-fluorophenyl)propan-2-ylamino]propyl]phenyl]formamide?
The canonical SMILES for N-[4-[3-[1-(4-fluorophenyl)propan-2-ylamino]propyl]phenyl]formamide is CC(Cc1ccc(F)cc1)NCCCc1ccc(NC=O)cc1.
What is the InChIKey of N-[4-[3-[1-(4-fluorophenyl)propan-2-ylamino]propyl]phenyl]formamide?
The InChIKey is VWQBNTFCRWSPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O/c1-15(13-17-4-8-18(20)9-5-17)21-12-2-3-16-6-10-19(11-7-16)22-14-23/h4-11,14-15,21H,2-3,12-13H2,1H3,(H,22,23).
What are the key properties of N-[4-[3-[1-(4-fluorophenyl)propan-2-ylamino]propyl]phenyl]formamide?
N-[4-[3-[1-(4-fluorophenyl)propan-2-ylamino]propyl]phenyl]formamide has a molecular weight of 314.40 g/mol, XLogP of 3.55, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[1-(4-fluorophenyl)propan-2-ylamino]propyl]phenyl]formamide is sourced from PubChem (CID 155119479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).