2-fluoro-N,5-dimethyl-N-(3-phenylpropyl)benzamide

C18H20FNO — CID 62511119

IUPAC2-fluoro-N,5-dimethyl-N-(3-phenylpropyl)benzamide
SMILESCc1ccc(F)c(C(=O)N(C)CCCc2ccccc2)c1
InChIInChI=1S/C18H20FNO/c1-14-10-11-17(19)16(13-14)18(21)20(2)12-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3
InChIKeyWDKLMQNAIDLEBY-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.84
Rot. Bonds5

About 2-fluoro-N,5-dimethyl-N-(3-phenylpropyl)benzamide

2-fluoro-N,5-dimethyl-N-(3-phenylpropyl)benzamide (PubChem CID 62511119) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 2-fluoro-N,5-dimethyl-N-(3-phenylpropyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N,5-dimethyl-N-(3-phenylpropyl)benzamide
PubChem CID62511119
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name2-fluoro-N,5-dimethyl-N-(3-phenylpropyl)benzamide
SMILESCc1ccc(F)c(C(=O)N(C)CCCc2ccccc2)c1
InChIInChI=1S/C18H20FNO/c1-14-10-11-17(19)16(13-14)18(21)20(2)12-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3
InChIKeyWDKLMQNAIDLEBY-UHFFFAOYSA-N
XLogP3.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,2,5-trimethyl-N-(2-phenylethyl)benzamide
CID 175917988
2-fluoro-N,5-dimethyl-N-(2-methylsulfanylethyl)benzamide
CID 112698063
N-benzyl-2-fluoro-5-methyl-N-propan-2-ylbenzamide
CID 62509539
N-[(2-aminophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62516508
N-[(2-bromophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62515868
5-amino-N,2-dimethyl-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 61040317
N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62516506
2,5-dimethyl-N-(3-phenylpropyl)benzamide
CID 2202785
2-[(2-fluoro-5-methylbenzoyl)-methylamino]benzoic acid
CID 62514246
N-methyl-N-(3-phenylpropyl)-1-benzothiophene-3-carboxamide
CID 112826472
N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62510958
4-(chloromethyl)-N-methyl-N-(3-phenylpropyl)benzamide
CID 43588600

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,5-dimethyl-N-(3-phenylpropyl)benzamide?
The IUPAC name of 2-fluoro-N,5-dimethyl-N-(3-phenylpropyl)benzamide (CID 62511119) is 2-fluoro-N,5-dimethyl-N-(3-phenylpropyl)benzamide.
What is the SMILES notation for 2-fluoro-N,5-dimethyl-N-(3-phenylpropyl)benzamide?
The canonical SMILES for 2-fluoro-N,5-dimethyl-N-(3-phenylpropyl)benzamide is Cc1ccc(F)c(C(=O)N(C)CCCc2ccccc2)c1.
What is the InChIKey of 2-fluoro-N,5-dimethyl-N-(3-phenylpropyl)benzamide?
The InChIKey is WDKLMQNAIDLEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-14-10-11-17(19)16(13-14)18(21)20(2)12-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3.
What are the key properties of 2-fluoro-N,5-dimethyl-N-(3-phenylpropyl)benzamide?
2-fluoro-N,5-dimethyl-N-(3-phenylpropyl)benzamide has a molecular weight of 285.36 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,5-dimethyl-N-(3-phenylpropyl)benzamide is sourced from PubChem (CID 62511119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).