N-cyclohexyl-5-[2-[(2-fluorophenyl)methyl]pyrrol-1-yl]-2-prop-1-en-2-ylaniline

C26H29FN2 — CID 142339914

IUPACN-cyclohexyl-5-[2-[(2-fluorophenyl)methyl]pyrrol-1-yl]-2-prop-1-en-2-ylaniline
SMILESC=C(C)c1ccc(-n2cccc2Cc2ccccc2F)cc1NC1CCCCC1
InChIInChI=1S/C26H29FN2/c1-19(2)24-15-14-23(18-26(24)28-21-10-4-3-5-11-21)29-16-8-12-22(29)17-20-9-6-7-13-25(20)27/h6-9,12-16,18,21,28H,1,3-5,10-11,17H2,2H3
InChIKeyCVYIQYHKVUVWQQ-UHFFFAOYSA-N
MW388.53 g/mol
LogP6.98
Rot. Bonds6

About N-cyclohexyl-5-[2-[(2-fluorophenyl)methyl]pyrrol-1-yl]-2-prop-1-en-2-ylaniline

N-cyclohexyl-5-[2-[(2-fluorophenyl)methyl]pyrrol-1-yl]-2-prop-1-en-2-ylaniline (PubChem CID 142339914) has the molecular formula C26H29FN2 and a molecular weight of 388.53 g/mol. Its IUPAC name is N-cyclohexyl-5-[2-[(2-fluorophenyl)methyl]pyrrol-1-yl]-2-prop-1-en-2-ylaniline.

Molecular Properties

Compound NameN-cyclohexyl-5-[2-[(2-fluorophenyl)methyl]pyrrol-1-yl]-2-prop-1-en-2-ylaniline
PubChem CID142339914
Molecular FormulaC26H29FN2
Molecular Weight388.53 g/mol
Exact Mass388.23
IUPAC NameN-cyclohexyl-5-[2-[(2-fluorophenyl)methyl]pyrrol-1-yl]-2-prop-1-en-2-ylaniline
SMILESC=C(C)c1ccc(-n2cccc2Cc2ccccc2F)cc1NC1CCCCC1
InChIInChI=1S/C26H29FN2/c1-19(2)24-15-14-23(18-26(24)28-21-10-4-3-5-11-21)29-16-8-12-22(29)17-20-9-6-7-13-25(20)27/h6-9,12-16,18,21,28H,1,3-5,10-11,17H2,2H3
InChIKeyCVYIQYHKVUVWQQ-UHFFFAOYSA-N
XLogP6.98
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.53
LogP ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[2-[(3-chlorophenyl)methyl]pyrrol-1-yl]-N-cyclohexyl-2-prop-1-en-2-ylaniline
CID 142339958
2-(cyclohexylamino)-4-[2-[(2,6-difluorophenyl)methyl]pyrrol-1-yl]benzamide
CID 134479235
4-[2-(2-chlorophenoxy)pyrrol-1-yl]-2-(cyclohexylamino)benzamide
CID 142339937
2-(cyclohexylamino)-4-(2-pyridin-4-ylsulfanylpyrrol-1-yl)benzamide
CID 142339925
2-(cyclohexylamino)-N-[2-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 138058581
N-[(2-fluorophenyl)methyl]cycloheptanamine
CID 4719917
N-cyclohexyl-5-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-prop-1-en-2-ylaniline;3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 143871378
N-[[2-(cycloheptylamino)phenyl]methyl]-N-methylacetamide
CID 43692065
4-[2-(3-fluorophenyl)sulfanylpyrrol-1-yl]-2-[(4-hydroxycyclohexyl)amino]benzamide
CID 134479133
2-[(2-fluorophenyl)methyl]pyrrol-1-amine
CID 19838770
N-[(2-fluorophenyl)methyl]cyclopentanamine
CID 1080487
6-(cyclohexylamino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109363792

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[2-[(2-fluorophenyl)methyl]pyrrol-1-yl]-2-prop-1-en-2-ylaniline?
The IUPAC name of N-cyclohexyl-5-[2-[(2-fluorophenyl)methyl]pyrrol-1-yl]-2-prop-1-en-2-ylaniline (CID 142339914) is N-cyclohexyl-5-[2-[(2-fluorophenyl)methyl]pyrrol-1-yl]-2-prop-1-en-2-ylaniline.
What is the SMILES notation for N-cyclohexyl-5-[2-[(2-fluorophenyl)methyl]pyrrol-1-yl]-2-prop-1-en-2-ylaniline?
The canonical SMILES for N-cyclohexyl-5-[2-[(2-fluorophenyl)methyl]pyrrol-1-yl]-2-prop-1-en-2-ylaniline is C=C(C)c1ccc(-n2cccc2Cc2ccccc2F)cc1NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-5-[2-[(2-fluorophenyl)methyl]pyrrol-1-yl]-2-prop-1-en-2-ylaniline?
The InChIKey is CVYIQYHKVUVWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN2/c1-19(2)24-15-14-23(18-26(24)28-21-10-4-3-5-11-21)29-16-8-12-22(29)17-20-9-6-7-13-25(20)27/h6-9,12-16,18,21,28H,1,3-5,10-11,17H2,2H3.
What are the key properties of N-cyclohexyl-5-[2-[(2-fluorophenyl)methyl]pyrrol-1-yl]-2-prop-1-en-2-ylaniline?
N-cyclohexyl-5-[2-[(2-fluorophenyl)methyl]pyrrol-1-yl]-2-prop-1-en-2-ylaniline has a molecular weight of 388.53 g/mol, XLogP of 6.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[2-[(2-fluorophenyl)methyl]pyrrol-1-yl]-2-prop-1-en-2-ylaniline is sourced from PubChem (CID 142339914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).