N-(3-fluoro-4-methylphenyl)-4-propan-2-yloxybenzamide

C17H18FNO2 — CID 7778576

IUPACN-(3-fluoro-4-methylphenyl)-4-propan-2-yloxybenzamide
SMILESCc1ccc(NC(=O)c2ccc(OC(C)C)cc2)cc1F
InChIInChI=1S/C17H18FNO2/c1-11(2)21-15-8-5-13(6-9-15)17(20)19-14-7-4-12(3)16(18)10-14/h4-11H,1-3H3,(H,19,20)
InChIKeyTYIAYQJWIQOOEL-UHFFFAOYSA-N
MW287.33 g/mol
LogP4.17
Rot. Bonds4

About N-(3-fluoro-4-methylphenyl)-4-propan-2-yloxybenzamide

N-(3-fluoro-4-methylphenyl)-4-propan-2-yloxybenzamide (PubChem CID 7778576) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-4-propan-2-yloxybenzamide
PubChem CID7778576
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC NameN-(3-fluoro-4-methylphenyl)-4-propan-2-yloxybenzamide
SMILESCc1ccc(NC(=O)c2ccc(OC(C)C)cc2)cc1F
InChIInChI=1S/C17H18FNO2/c1-11(2)21-15-8-5-13(6-9-15)17(20)19-14-7-4-12(3)16(18)10-14/h4-11H,1-3H3,(H,19,20)
InChIKeyTYIAYQJWIQOOEL-UHFFFAOYSA-N
XLogP4.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethoxy-N-(3-fluoro-4-methylphenyl)benzamide
CID 2969739
4-propan-2-yloxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154760
3-bromo-4-methyl-N-(4-propan-2-yloxyphenyl)benzamide
CID 17340213
N-naphthalen-2-yl-4-propan-2-yloxybenzamide
CID 823400
2-[4-(4-fluorobenzoyl)phenoxy]-N-(3-fluoro-4-methylphenyl)propanamide
CID 18208718
4-(methylamino)-N-(4-propan-2-yloxyphenyl)benzamide
CID 62166478
4-(difluoromethoxy)-N-(3-iodo-4-methylphenyl)benzamide
CID 2676650
4-amino-N-(4-propan-2-yloxyphenyl)benzamide
CID 28722589
1-N-(3,4-difluorophenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043255
N-(3,5-dibromo-4-hydroxyphenyl)-4-propan-2-yloxybenzamide
CID 5119029
3-fluoro-N-[4-methoxy-3-[(4-methoxybenzoyl)amino]phenyl]-4-methylbenzamide
CID 46323189
N-(3-chlorophenyl)-4-propan-2-yloxybenzamide
CID 823397

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-4-propan-2-yloxybenzamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-4-propan-2-yloxybenzamide (CID 7778576) is N-(3-fluoro-4-methylphenyl)-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-4-propan-2-yloxybenzamide is Cc1ccc(NC(=O)c2ccc(OC(C)C)cc2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-4-propan-2-yloxybenzamide?
The InChIKey is TYIAYQJWIQOOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-11(2)21-15-8-5-13(6-9-15)17(20)19-14-7-4-12(3)16(18)10-14/h4-11H,1-3H3,(H,19,20).
What are the key properties of N-(3-fluoro-4-methylphenyl)-4-propan-2-yloxybenzamide?
N-(3-fluoro-4-methylphenyl)-4-propan-2-yloxybenzamide has a molecular weight of 287.33 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 7778576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).