4-fluoro-N-[1-(2-methylphenyl)propan-2-yl]benzamide

C17H18FNO — CID 47296505

IUPAC4-fluoro-N-[1-(2-methylphenyl)propan-2-yl]benzamide
SMILESCc1ccccc1CC(C)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H18FNO/c1-12-5-3-4-6-15(12)11-13(2)19-17(20)14-7-9-16(18)10-8-14/h3-10,13H,11H2,1-2H3,(H,19,20)
InChIKeyNFYPTVCLFAEAQA-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.50
Rot. Bonds4

About 4-fluoro-N-[1-(2-methylphenyl)propan-2-yl]benzamide

4-fluoro-N-[1-(2-methylphenyl)propan-2-yl]benzamide (PubChem CID 47296505) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-fluoro-N-[1-(2-methylphenyl)propan-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-(2-methylphenyl)propan-2-yl]benzamide
PubChem CID47296505
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name4-fluoro-N-[1-(2-methylphenyl)propan-2-yl]benzamide
SMILESCc1ccccc1CC(C)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H18FNO/c1-12-5-3-4-6-15(12)11-13(2)19-17(20)14-7-9-16(18)10-8-14/h3-10,13H,11H2,1-2H3,(H,19,20)
InChIKeyNFYPTVCLFAEAQA-UHFFFAOYSA-N
XLogP3.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-N-[4-(2-fluorophenyl)butan-2-yl]benzamide
CID 166317910
N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 541803
5-iodo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-3-carboxamide
CID 78948571
2-amino-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 60933669
5-bromo-N-[1-(2-methylphenyl)propan-2-yl]pyridine-3-carboxamide
CID 47296504
3-[(4-fluorobenzoyl)amino]butanoic acid
CID 43240591
4-N-butan-2-yl-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109044039
2-(methylamino)-N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 60927229
2-bromo-3-methyl-N-[1-(2-methylphenyl)propan-2-yl]butanamide
CID 54867370
2-bromo-N-[1-(2-methylphenyl)propan-2-yl]butanamide
CID 62854671
4-fluoro-N-[(2S)-3-methyl-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-1-oxobutan-2-yl]benzamide
CID 9162523
3-amino-2-methyl-N-[1-(2-methylphenyl)propan-2-yl]benzamide
CID 61104122

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(2-methylphenyl)propan-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[1-(2-methylphenyl)propan-2-yl]benzamide (CID 47296505) is 4-fluoro-N-[1-(2-methylphenyl)propan-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[1-(2-methylphenyl)propan-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[1-(2-methylphenyl)propan-2-yl]benzamide is Cc1ccccc1CC(C)NC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[1-(2-methylphenyl)propan-2-yl]benzamide?
The InChIKey is NFYPTVCLFAEAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-12-5-3-4-6-15(12)11-13(2)19-17(20)14-7-9-16(18)10-8-14/h3-10,13H,11H2,1-2H3,(H,19,20).
What are the key properties of 4-fluoro-N-[1-(2-methylphenyl)propan-2-yl]benzamide?
4-fluoro-N-[1-(2-methylphenyl)propan-2-yl]benzamide has a molecular weight of 271.34 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(2-methylphenyl)propan-2-yl]benzamide is sourced from PubChem (CID 47296505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).