N-benzyl-3-fluoro-N-propylbenzamide

C17H18FNO — CID 134028425

IUPACN-benzyl-3-fluoro-N-propylbenzamide
SMILESCCCN(Cc1ccccc1)C(=O)c1cccc(F)c1
InChIInChI=1S/C17H18FNO/c1-2-11-19(13-14-7-4-3-5-8-14)17(20)15-9-6-10-16(18)12-15/h3-10,12H,2,11,13H2,1H3
InChIKeyMEFXZFGKETYDAC-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.88
Rot. Bonds5

About N-benzyl-3-fluoro-N-propylbenzamide

N-benzyl-3-fluoro-N-propylbenzamide (PubChem CID 134028425) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is N-benzyl-3-fluoro-N-propylbenzamide.

Molecular Properties

Compound NameN-benzyl-3-fluoro-N-propylbenzamide
PubChem CID134028425
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC NameN-benzyl-3-fluoro-N-propylbenzamide
SMILESCCCN(Cc1ccccc1)C(=O)c1cccc(F)c1
InChIInChI=1S/C17H18FNO/c1-2-11-19(13-14-7-4-3-5-8-14)17(20)15-9-6-10-16(18)12-15/h3-10,12H,2,11,13H2,1H3
InChIKeyMEFXZFGKETYDAC-UHFFFAOYSA-N
XLogP3.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-3-chloro-N-propylbenzamide
CID 71026265
N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-fluoro-N-propylbenzamide
CID 4166505
2-[benzyl-(3-fluorobenzoyl)amino]acetic acid
CID 84583368
N-(2-chloroethyl)-3-fluoro-N-propylbenzamide
CID 63392950
N-benzyl-3,5-dibromo-N-propylbenzamide
CID 107980144
[4-[[benzyl-(3-fluorobenzoyl)amino]methyl]phenyl] methanesulfonate
CID 3553851
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530
N-benzyl-3-bromo-4-methyl-N-propylbenzamide
CID 81458013
3-fluoro-N,N-di(nonyl)benzamide
CID 533098
N-benzyl-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-fluorobenzamide
CID 83283231
N-benzyl-N-(2-fluoroethyl)-3-methylbenzamide
CID 11500020
N-benzyl-N-propyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 134028436

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-fluoro-N-propylbenzamide?
The IUPAC name of N-benzyl-3-fluoro-N-propylbenzamide (CID 134028425) is N-benzyl-3-fluoro-N-propylbenzamide.
What is the SMILES notation for N-benzyl-3-fluoro-N-propylbenzamide?
The canonical SMILES for N-benzyl-3-fluoro-N-propylbenzamide is CCCN(Cc1ccccc1)C(=O)c1cccc(F)c1.
What is the InChIKey of N-benzyl-3-fluoro-N-propylbenzamide?
The InChIKey is MEFXZFGKETYDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-2-11-19(13-14-7-4-3-5-8-14)17(20)15-9-6-10-16(18)12-15/h3-10,12H,2,11,13H2,1H3.
What are the key properties of N-benzyl-3-fluoro-N-propylbenzamide?
N-benzyl-3-fluoro-N-propylbenzamide has a molecular weight of 271.34 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-fluoro-N-propylbenzamide is sourced from PubChem (CID 134028425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).