N-[(Z)-2-amino-3-(3,5-difluoro-4-pyrrol-1-ylanilino)prop-2-enyl]acetamide

C15H16F2N4O — CID 142967054

IUPACN-[(Z)-2-amino-3-(3,5-difluoro-4-pyrrol-1-ylanilino)prop-2-enyl]acetamide
SMILESCC(=O)NC/C(N)=C/Nc1cc(F)c(-n2cccc2)c(F)c1
InChIInChI=1S/C15H16F2N4O/c1-10(22)19-8-11(18)9-20-12-6-13(16)15(14(17)7-12)21-4-2-3-5-21/h2-7,9,20H,8,18H2,1H3,(H,19,22)/b11-9-
InChIKeyXWFYEYHOUBZGLJ-LUAWRHEFSA-N
MW306.32 g/mol
LogP2.10
Rot. Bonds5

About N-[(Z)-2-amino-3-(3,5-difluoro-4-pyrrol-1-ylanilino)prop-2-enyl]acetamide

N-[(Z)-2-amino-3-(3,5-difluoro-4-pyrrol-1-ylanilino)prop-2-enyl]acetamide (PubChem CID 142967054) has the molecular formula C15H16F2N4O and a molecular weight of 306.32 g/mol. Its IUPAC name is N-[(Z)-2-amino-3-(3,5-difluoro-4-pyrrol-1-ylanilino)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[(Z)-2-amino-3-(3,5-difluoro-4-pyrrol-1-ylanilino)prop-2-enyl]acetamide
PubChem CID142967054
Molecular FormulaC15H16F2N4O
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC NameN-[(Z)-2-amino-3-(3,5-difluoro-4-pyrrol-1-ylanilino)prop-2-enyl]acetamide
SMILESCC(=O)NC/C(N)=C/Nc1cc(F)c(-n2cccc2)c(F)c1
InChIInChI=1S/C15H16F2N4O/c1-10(22)19-8-11(18)9-20-12-6-13(16)15(14(17)7-12)21-4-2-3-5-21/h2-7,9,20H,8,18H2,1H3,(H,19,22)/b11-9-
InChIKeyXWFYEYHOUBZGLJ-LUAWRHEFSA-N
XLogP2.10
TPSA72.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyridin-2-ylmethyl)acetamide
CID 5084090
N-[4-(1H-pyrrol-1-yl)phenyl]cyclopropanecarboxamide
CID 2768250
2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 4787986
N-(4-methylbenzyl)-2-(1H-pyrrol-1-yl)acetamide
CID 6619993
1-(2-Anilino-2-oxoethyl)pyridinium
CID 459590
(2S)-2-amino-N-[4-(1H-pyrrol-1-yl)phenyl]pentanediamide
CID 24901612
N-(2-methylphenyl)-2-(1H-pyrrol-1-yl)acetamide
CID 3243600
N-(3-fluorophenyl)-3-(1H-pyrrol-1-yl)propanamide
CID 3244671
N-(4-ethylphenyl)-2-(1H-pyrrol-1-yl)acetamide
CID 6619960
N-(4-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 9550661
(5Z,8Z,11Z,14Z)-N-[(1-methyl-1H-pyrrol-2-yl)methyl]icosa-5,8,11,14-tetraenamide
CID 10157610
1-(2,4-Difluorophenyl)-3-[(1,5-dimethylpyrrol-2-yl)methyl]urea
CID 2815618

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-amino-3-(3,5-difluoro-4-pyrrol-1-ylanilino)prop-2-enyl]acetamide?
The IUPAC name of N-[(Z)-2-amino-3-(3,5-difluoro-4-pyrrol-1-ylanilino)prop-2-enyl]acetamide (CID 142967054) is N-[(Z)-2-amino-3-(3,5-difluoro-4-pyrrol-1-ylanilino)prop-2-enyl]acetamide.
What is the SMILES notation for N-[(Z)-2-amino-3-(3,5-difluoro-4-pyrrol-1-ylanilino)prop-2-enyl]acetamide?
The canonical SMILES for N-[(Z)-2-amino-3-(3,5-difluoro-4-pyrrol-1-ylanilino)prop-2-enyl]acetamide is CC(=O)NC/C(N)=C/Nc1cc(F)c(-n2cccc2)c(F)c1.
What is the InChIKey of N-[(Z)-2-amino-3-(3,5-difluoro-4-pyrrol-1-ylanilino)prop-2-enyl]acetamide?
The InChIKey is XWFYEYHOUBZGLJ-LUAWRHEFSA-N. The full InChI is InChI=1S/C15H16F2N4O/c1-10(22)19-8-11(18)9-20-12-6-13(16)15(14(17)7-12)21-4-2-3-5-21/h2-7,9,20H,8,18H2,1H3,(H,19,22)/b11-9-.
What are the key properties of N-[(Z)-2-amino-3-(3,5-difluoro-4-pyrrol-1-ylanilino)prop-2-enyl]acetamide?
N-[(Z)-2-amino-3-(3,5-difluoro-4-pyrrol-1-ylanilino)prop-2-enyl]acetamide has a molecular weight of 306.32 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-amino-3-(3,5-difluoro-4-pyrrol-1-ylanilino)prop-2-enyl]acetamide is sourced from PubChem (CID 142967054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).