N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-fluoro-4-methylbenzamide

C22H23FN2O2 — CID 33344663

IUPACN-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1F
InChIInChI=1S/C22H23FN2O2/c1-14-2-5-17(12-20(14)23)22(27)25(19-10-11-19)13-15-3-6-16(7-4-15)21(26)24-18-8-9-18/h2-7,12,18-19H,8-11,13H2,1H3,(H,24,26)
InChIKeyLTHBRXWZHCIYQS-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.83
Rot. Bonds6

About N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-fluoro-4-methylbenzamide

N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-fluoro-4-methylbenzamide (PubChem CID 33344663) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-fluoro-4-methylbenzamide
PubChem CID33344663
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC NameN-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1F
InChIInChI=1S/C22H23FN2O2/c1-14-2-5-17(12-20(14)23)22(27)25(19-10-11-19)13-15-3-6-16(7-4-15)21(26)24-18-8-9-18/h2-7,12,18-19H,8-11,13H2,1H3,(H,24,26)
InChIKeyLTHBRXWZHCIYQS-UHFFFAOYSA-N
XLogP3.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide
CID 33339391
N-cyclopropyl-4-[[cyclopropyl-(4-methoxybenzoyl)amino]methyl]benzamide
CID 34178936
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 33342779
N-cyclopropyl-4-[[cyclopropyl(propanoyl)amino]methyl]benzamide
CID 33341018
4-[[[4-(carbamoylamino)benzoyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 34180284
N-cyclopropyl-4-[[cyclopropyl-[2-(4-fluorophenyl)acetyl]amino]methyl]benzamide
CID 34178957
N-cyclopropyl-4-[[cyclopropyl-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]methyl]benzamide
CID 55699387
4-[[[2-(4-chloro-2-methylphenoxy)acetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 33341817
N-[2-(cyclopropylcarbamoylamino)ethyl]-3-fluoro-4-methylbenzamide
CID 36508254
N-cyclopropyl-4-[[[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide
CID 34944479
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 37431923
N-[2-(cyclopropylamino)ethyl]-3-fluoro-4-methylbenzamide
CID 62664386

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-fluoro-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-fluoro-4-methylbenzamide (CID 33344663) is N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-fluoro-4-methylbenzamide is Cc1ccc(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1F.
What is the InChIKey of N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-fluoro-4-methylbenzamide?
The InChIKey is LTHBRXWZHCIYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c1-14-2-5-17(12-20(14)23)22(27)25(19-10-11-19)13-15-3-6-16(7-4-15)21(26)24-18-8-9-18/h2-7,12,18-19H,8-11,13H2,1H3,(H,24,26).
What are the key properties of N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-fluoro-4-methylbenzamide?
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-fluoro-4-methylbenzamide has a molecular weight of 366.44 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 33344663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).