N-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]propanamide

C19H21F3N2O — CID 4288129

IUPACN-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]propanamide
SMILESC=CCN(Cc1cccn1Cc1cccc(C(F)(F)F)c1)C(=O)CC
InChIInChI=1S/C19H21F3N2O/c1-3-10-24(18(25)4-2)14-17-9-6-11-23(17)13-15-7-5-8-16(12-15)19(20,21)22/h3,5-9,11-12H,1,4,10,13-14H2,2H3
InChIKeyYPWMJLQPTMPWEB-UHFFFAOYSA-N
MW350.38 g/mol
LogP4.48
Rot. Bonds7

About N-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]propanamide

N-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]propanamide (PubChem CID 4288129) has the molecular formula C19H21F3N2O and a molecular weight of 350.38 g/mol. Its IUPAC name is N-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]propanamide
PubChem CID4288129
Molecular FormulaC19H21F3N2O
Molecular Weight350.38 g/mol
Exact Mass350.16
IUPAC NameN-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]propanamide
SMILESC=CCN(Cc1cccn1Cc1cccc(C(F)(F)F)c1)C(=O)CC
InChIInChI=1S/C19H21F3N2O/c1-3-10-24(18(25)4-2)14-17-9-6-11-23(17)13-15-7-5-8-16(12-15)19(20,21)22/h3,5-9,11-12H,1,4,10,13-14H2,2H3
InChIKeyYPWMJLQPTMPWEB-UHFFFAOYSA-N
XLogP4.48
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-N-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]propanamide
CID 7287746
N-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]furan-2-carboxamide
CID 42763489
N-prop-2-enyl-2-thiophen-2-yl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]acetamide
CID 5171493
N-pentyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]propanamide
CID 5032060
4-bromo-N-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]benzamide
CID 3537509
N-[2-[benzyl-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-3-phenyl-N-prop-2-enylpropanamide
CID 42767690
3-(4-methoxyphenyl)-1-prop-2-enyl-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]urea
CID 4202857
(2R)-3-methyl-N-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]butan-2-amine
CID 7207186
N-pentyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]hexanamide
CID 4568943
1-benzyl-3-ethyl-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]urea
CID 3651212
N-butyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]cyclopropanecarboxamide
CID 42763441
N-[(3-fluorophenyl)methyl]-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]prop-2-en-1-amine
CID 7271677

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]propanamide?
The IUPAC name of N-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]propanamide (CID 4288129) is N-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]propanamide.
What is the SMILES notation for N-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]propanamide?
The canonical SMILES for N-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]propanamide is C=CCN(Cc1cccn1Cc1cccc(C(F)(F)F)c1)C(=O)CC.
What is the InChIKey of N-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]propanamide?
The InChIKey is YPWMJLQPTMPWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O/c1-3-10-24(18(25)4-2)14-17-9-6-11-23(17)13-15-7-5-8-16(12-15)19(20,21)22/h3,5-9,11-12H,1,4,10,13-14H2,2H3.
What are the key properties of N-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]propanamide?
N-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]propanamide has a molecular weight of 350.38 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]propanamide is sourced from PubChem (CID 4288129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).