5-[2-[(3-chlorophenyl)methyl]pyrrol-1-yl]-N-cyclohexyl-2-prop-1-en-2-ylaniline

C26H29ClN2 — CID 142339958

IUPAC5-[2-[(3-chlorophenyl)methyl]pyrrol-1-yl]-N-cyclohexyl-2-prop-1-en-2-ylaniline
SMILESC=C(C)c1ccc(-n2cccc2Cc2cccc(Cl)c2)cc1NC1CCCCC1
InChIInChI=1S/C26H29ClN2/c1-19(2)25-14-13-24(18-26(25)28-22-10-4-3-5-11-22)29-15-7-12-23(29)17-20-8-6-9-21(27)16-20/h6-9,12-16,18,22,28H,1,3-5,10-11,17H2,2H3
InChIKeyHZUHHBUHUSWUAV-UHFFFAOYSA-N
MW404.99 g/mol
LogP7.50
Rot. Bonds6

About 5-[2-[(3-chlorophenyl)methyl]pyrrol-1-yl]-N-cyclohexyl-2-prop-1-en-2-ylaniline

5-[2-[(3-chlorophenyl)methyl]pyrrol-1-yl]-N-cyclohexyl-2-prop-1-en-2-ylaniline (PubChem CID 142339958) has the molecular formula C26H29ClN2 and a molecular weight of 404.99 g/mol. Its IUPAC name is 5-[2-[(3-chlorophenyl)methyl]pyrrol-1-yl]-N-cyclohexyl-2-prop-1-en-2-ylaniline.

Molecular Properties

Compound Name5-[2-[(3-chlorophenyl)methyl]pyrrol-1-yl]-N-cyclohexyl-2-prop-1-en-2-ylaniline
PubChem CID142339958
Molecular FormulaC26H29ClN2
Molecular Weight404.99 g/mol
Exact Mass404.20
IUPAC Name5-[2-[(3-chlorophenyl)methyl]pyrrol-1-yl]-N-cyclohexyl-2-prop-1-en-2-ylaniline
SMILESC=C(C)c1ccc(-n2cccc2Cc2cccc(Cl)c2)cc1NC1CCCCC1
InChIInChI=1S/C26H29ClN2/c1-19(2)25-14-13-24(18-26(25)28-22-10-4-3-5-11-22)29-15-7-12-23(29)17-20-8-6-9-21(27)16-20/h6-9,12-16,18,22,28H,1,3-5,10-11,17H2,2H3
InChIKeyHZUHHBUHUSWUAV-UHFFFAOYSA-N
XLogP7.50
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.99
LogP ≤ 57.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-5-[2-[(2-fluorophenyl)methyl]pyrrol-1-yl]-2-prop-1-en-2-ylaniline
CID 142339914
4-[2-(2-chlorophenoxy)pyrrol-1-yl]-2-(cyclohexylamino)benzamide
CID 142339937
2-(3-chlorophenyl)-1-cycloheptyl-N-methylethanamine
CID 63528651
1-(3-chlorophenyl)-N-cyclohexyl-4-methylimidazol-2-amine
CID 106558404
2-(cyclohexylamino)-4-(2-pyridin-4-ylsulfanylpyrrol-1-yl)benzamide
CID 142339925
4-chloro-2-(cyclohexylamino)-N,N-dimethylbenzamide
CID 43737654
1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-cyclohexyl-1-(2-methylpropyl)urea
CID 3429488
2-[1-(3-chlorophenyl)pyrrol-2-yl]ethanamine
CID 82286447
N-[1-(3-chlorophenyl)propan-2-yl]cyclopentanamine
CID 43694776
N-cyclopentyl-1-(3-ethylphenyl)imidazol-2-amine
CID 106559803
4-chloro-2-N-cyclooctylbenzene-1,2-diamine
CID 115468486
4-chloro-N-cyclohexyl-2-iodoaniline
CID 107631445

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3-chlorophenyl)methyl]pyrrol-1-yl]-N-cyclohexyl-2-prop-1-en-2-ylaniline?
The IUPAC name of 5-[2-[(3-chlorophenyl)methyl]pyrrol-1-yl]-N-cyclohexyl-2-prop-1-en-2-ylaniline (CID 142339958) is 5-[2-[(3-chlorophenyl)methyl]pyrrol-1-yl]-N-cyclohexyl-2-prop-1-en-2-ylaniline.
What is the SMILES notation for 5-[2-[(3-chlorophenyl)methyl]pyrrol-1-yl]-N-cyclohexyl-2-prop-1-en-2-ylaniline?
The canonical SMILES for 5-[2-[(3-chlorophenyl)methyl]pyrrol-1-yl]-N-cyclohexyl-2-prop-1-en-2-ylaniline is C=C(C)c1ccc(-n2cccc2Cc2cccc(Cl)c2)cc1NC1CCCCC1.
What is the InChIKey of 5-[2-[(3-chlorophenyl)methyl]pyrrol-1-yl]-N-cyclohexyl-2-prop-1-en-2-ylaniline?
The InChIKey is HZUHHBUHUSWUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN2/c1-19(2)25-14-13-24(18-26(25)28-22-10-4-3-5-11-22)29-15-7-12-23(29)17-20-8-6-9-21(27)16-20/h6-9,12-16,18,22,28H,1,3-5,10-11,17H2,2H3.
What are the key properties of 5-[2-[(3-chlorophenyl)methyl]pyrrol-1-yl]-N-cyclohexyl-2-prop-1-en-2-ylaniline?
5-[2-[(3-chlorophenyl)methyl]pyrrol-1-yl]-N-cyclohexyl-2-prop-1-en-2-ylaniline has a molecular weight of 404.99 g/mol, XLogP of 7.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(3-chlorophenyl)methyl]pyrrol-1-yl]-N-cyclohexyl-2-prop-1-en-2-ylaniline is sourced from PubChem (CID 142339958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).