N-benzyl-2-fluoro-5-methyl-N-propan-2-ylbenzamide

C18H20FNO — CID 62509539

IUPACN-benzyl-2-fluoro-5-methyl-N-propan-2-ylbenzamide
SMILESCc1ccc(F)c(C(=O)N(Cc2ccccc2)C(C)C)c1
InChIInChI=1S/C18H20FNO/c1-13(2)20(12-15-7-5-4-6-8-15)18(21)16-11-14(3)9-10-17(16)19/h4-11,13H,12H2,1-3H3
InChIKeyRKRJXXBDOPEJJM-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.18
Rot. Bonds4

About N-benzyl-2-fluoro-5-methyl-N-propan-2-ylbenzamide

N-benzyl-2-fluoro-5-methyl-N-propan-2-ylbenzamide (PubChem CID 62509539) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is N-benzyl-2-fluoro-5-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-benzyl-2-fluoro-5-methyl-N-propan-2-ylbenzamide
PubChem CID62509539
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC NameN-benzyl-2-fluoro-5-methyl-N-propan-2-ylbenzamide
SMILESCc1ccc(F)c(C(=O)N(Cc2ccccc2)C(C)C)c1
InChIInChI=1S/C18H20FNO/c1-13(2)20(12-15-7-5-4-6-8-15)18(21)16-11-14(3)9-10-17(16)19/h4-11,13H,12H2,1-3H3
InChIKeyRKRJXXBDOPEJJM-UHFFFAOYSA-N
XLogP4.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-fluoro-5-methylbenzoyl)-propan-2-ylamino]acetic acid
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N-ethyl-2-fluoro-4-methyl-N-propan-2-ylbenzamide
CID 79776951
2-fluoro-N,5-dimethyl-N-(3-phenylpropyl)benzamide
CID 62511119
N-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-2-fluorobenzamide
CID 112995050
N-benzyl-6-chloro-N-propan-2-yl-1H-indole-3-carboxamide
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N-benzyl-1-methyl-N-propan-2-ylindole-3-carboxamide
CID 113205582
N-benzyl-N-propan-2-ylacetamide
CID 23534449
N-benzyl-3-bromo-4-methyl-N-propan-2-ylbenzamide
CID 81457215
N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,5-dimethylbenzamide
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CID 106852447

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-fluoro-5-methyl-N-propan-2-ylbenzamide?
The IUPAC name of N-benzyl-2-fluoro-5-methyl-N-propan-2-ylbenzamide (CID 62509539) is N-benzyl-2-fluoro-5-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for N-benzyl-2-fluoro-5-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for N-benzyl-2-fluoro-5-methyl-N-propan-2-ylbenzamide is Cc1ccc(F)c(C(=O)N(Cc2ccccc2)C(C)C)c1.
What is the InChIKey of N-benzyl-2-fluoro-5-methyl-N-propan-2-ylbenzamide?
The InChIKey is RKRJXXBDOPEJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-13(2)20(12-15-7-5-4-6-8-15)18(21)16-11-14(3)9-10-17(16)19/h4-11,13H,12H2,1-3H3.
What are the key properties of N-benzyl-2-fluoro-5-methyl-N-propan-2-ylbenzamide?
N-benzyl-2-fluoro-5-methyl-N-propan-2-ylbenzamide has a molecular weight of 285.36 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-fluoro-5-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 62509539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).