N-(cyclopropylmethyl)-4-(4-fluoro-2-methylphenyl)-N-(oxolan-2-ylmethyl)benzamide

C23H26FNO2 — CID 44571491

IUPACN-(cyclopropylmethyl)-4-(4-fluoro-2-methylphenyl)-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1cc(F)ccc1-c1ccc(C(=O)N(CC2CC2)CC2CCCO2)cc1
InChIInChI=1S/C23H26FNO2/c1-16-13-20(24)10-11-22(16)18-6-8-19(9-7-18)23(26)25(14-17-4-5-17)15-21-3-2-12-27-21/h6-11,13,17,21H,2-5,12,14-15H2,1H3
InChIKeyUEQMWQDRMSYCRT-UHFFFAOYSA-N
MW367.46 g/mol
LogP4.83
Rot. Bonds6

About N-(cyclopropylmethyl)-4-(4-fluoro-2-methylphenyl)-N-(oxolan-2-ylmethyl)benzamide

N-(cyclopropylmethyl)-4-(4-fluoro-2-methylphenyl)-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 44571491) has the molecular formula C23H26FNO2 and a molecular weight of 367.46 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-(4-fluoro-2-methylphenyl)-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-(4-fluoro-2-methylphenyl)-N-(oxolan-2-ylmethyl)benzamide
PubChem CID44571491
Molecular FormulaC23H26FNO2
Molecular Weight367.46 g/mol
Exact Mass367.19
IUPAC NameN-(cyclopropylmethyl)-4-(4-fluoro-2-methylphenyl)-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1cc(F)ccc1-c1ccc(C(=O)N(CC2CC2)CC2CCCO2)cc1
InChIInChI=1S/C23H26FNO2/c1-16-13-20(24)10-11-22(16)18-6-8-19(9-7-18)23(26)25(14-17-4-5-17)15-21-3-2-12-27-21/h6-11,13,17,21H,2-5,12,14-15H2,1H3
InChIKeyUEQMWQDRMSYCRT-UHFFFAOYSA-N
XLogP4.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-3-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide
CID 42611262
N-cyclopropyl-3-fluoro-4-methyl-5-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 44480181
N-(cyclopropylmethyl)-N-(tetrahydro-2-furanylmethyl)[1,1'-biphenyl]-4-carboxamide
CID 4017619
N-benzyl-4-(4-fluoro-2-methylphenyl)-N-(oxolan-2-ylmethyl)benzamide
CID 44571386
N-benzyl-2-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide
CID 44571388
N-benzyl-4-(2-cyanophenyl)-N-(oxolan-2-ylmethyl)benzamide
CID 44571488
4-(2-chlorophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 44572003
N-(cyclopropylmethyl)-2-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide
CID 44572048
4-(3-chlorophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 44572103
4-(4-chlorophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 44572104
N-benzyl-3-methyl-N-(oxolan-2-ylmethyl)-4-phenylbenzamide
CID 44572107
4-[(3S,4R)-4-(dimethylamino)-1-[(2-fluoro-6-methylphenyl)methyl]pyrrolidin-3-yl]-N-(2-methoxyethyl)-N,2-dimethylbenzamide
CID 137658285

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-(4-fluoro-2-methylphenyl)-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of N-(cyclopropylmethyl)-4-(4-fluoro-2-methylphenyl)-N-(oxolan-2-ylmethyl)benzamide (CID 44571491) is N-(cyclopropylmethyl)-4-(4-fluoro-2-methylphenyl)-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-(4-fluoro-2-methylphenyl)-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-(4-fluoro-2-methylphenyl)-N-(oxolan-2-ylmethyl)benzamide is Cc1cc(F)ccc1-c1ccc(C(=O)N(CC2CC2)CC2CCCO2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-4-(4-fluoro-2-methylphenyl)-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is UEQMWQDRMSYCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FNO2/c1-16-13-20(24)10-11-22(16)18-6-8-19(9-7-18)23(26)25(14-17-4-5-17)15-21-3-2-12-27-21/h6-11,13,17,21H,2-5,12,14-15H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-4-(4-fluoro-2-methylphenyl)-N-(oxolan-2-ylmethyl)benzamide?
N-(cyclopropylmethyl)-4-(4-fluoro-2-methylphenyl)-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 367.46 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-(4-fluoro-2-methylphenyl)-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 44571491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).