N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-4-(trifluoromethyl)benzamide

C19H17F3N2O2 — CID 42760198

IUPACN-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-4-(trifluoromethyl)benzamide
SMILESCn1cccc1CN(Cc1ccco1)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17F3N2O2/c1-23-10-2-4-16(23)12-24(13-17-5-3-11-26-17)18(25)14-6-8-15(9-7-14)19(20,21)22/h2-11H,12-13H2,1H3
InChIKeyXPOAJPYZPITTIF-UHFFFAOYSA-N
MW362.35 g/mol
LogP4.48
Rot. Bonds5

About N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-4-(trifluoromethyl)benzamide

N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-4-(trifluoromethyl)benzamide (PubChem CID 42760198) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-4-(trifluoromethyl)benzamide
PubChem CID42760198
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC NameN-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-4-(trifluoromethyl)benzamide
SMILESCn1cccc1CN(Cc1ccco1)C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17F3N2O2/c1-23-10-2-4-16(23)12-24(13-17-5-3-11-26-17)18(25)14-6-8-15(9-7-14)19(20,21)22/h2-11H,12-13H2,1H3
InChIKeyXPOAJPYZPITTIF-UHFFFAOYSA-N
XLogP4.48
TPSA38.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 1057184
N-(furan-2-ylmethyl)-4-hexyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 3936154
N-butyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide
CID 4002712
N-[(1-methylpyrrol-2-yl)methyl]-N-prop-2-enyl-4-(trifluoromethyl)benzamide
CID 42759947
N-[(2S)-butan-2-yl]-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-methylbenzamide
CID 7327419
N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)-4-(trifluoromethyl)benzamide
CID 42767413
N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)-4-phenylbenzamide
CID 3999522
4-bromo-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)benzamide
CID 4015195
2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4045932
N-[2-[2-methoxyethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propyl-4-(trifluoromethyl)benzamide
CID 3552865
N-benzyl-4-tert-butyl-N-(furan-2-ylmethyl)benzamide
CID 4518197
N-cyclopropyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]propanamide
CID 3892976

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-4-(trifluoromethyl)benzamide (CID 42760198) is N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-4-(trifluoromethyl)benzamide is Cn1cccc1CN(Cc1ccco1)C(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-4-(trifluoromethyl)benzamide?
The InChIKey is XPOAJPYZPITTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c1-23-10-2-4-16(23)12-24(13-17-5-3-11-26-17)18(25)14-6-8-15(9-7-14)19(20,21)22/h2-11H,12-13H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-4-(trifluoromethyl)benzamide?
N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-4-(trifluoromethyl)benzamide has a molecular weight of 362.35 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 42760198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).