2-[4-[5-(4-chlorophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(2-morpholin-4-ylethyl)acetamide

C31H29ClF3N3O2 — CID 142461387

IUPAC2-[4-[5-(4-chlorophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=C(Cc1ccc(-c2ccc(-c3ccc(Cl)cc3)n2-c2ccccc2C(F)(F)F)cc1)NCCN1CCOCC1
InChIInChI=1S/C31H29ClF3N3O2/c32-25-11-9-24(10-12-25)28-14-13-27(38(28)29-4-2-1-3-26(29)31(33,34)35)23-7-5-22(6-8-23)21-30(39)36-15-16-37-17-19-40-20-18-37/h1-14H,15-21H2,(H,36,39)
InChIKeyAEBBZQKTTKSZSU-UHFFFAOYSA-N
MW568.04 g/mol
LogP6.47
Rot. Bonds8

About 2-[4-[5-(4-chlorophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(2-morpholin-4-ylethyl)acetamide

2-[4-[5-(4-chlorophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 142461387) has the molecular formula C31H29ClF3N3O2 and a molecular weight of 568.04 g/mol. Its IUPAC name is 2-[4-[5-(4-chlorophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[4-[5-(4-chlorophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID142461387
Molecular FormulaC31H29ClF3N3O2
Molecular Weight568.04 g/mol
Exact Mass567.19
IUPAC Name2-[4-[5-(4-chlorophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESO=C(Cc1ccc(-c2ccc(-c3ccc(Cl)cc3)n2-c2ccccc2C(F)(F)F)cc1)NCCN1CCOCC1
InChIInChI=1S/C31H29ClF3N3O2/c32-25-11-9-24(10-12-25)28-14-13-27(38(28)29-4-2-1-3-26(29)31(33,34)35)23-7-5-22(6-8-23)21-30(39)36-15-16-37-17-19-40-20-18-37/h1-14H,15-21H2,(H,36,39)
InChIKeyAEBBZQKTTKSZSU-UHFFFAOYSA-N
XLogP6.47
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.04
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 18162315
4-[5-(4-chlorophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]-N-[2-(dimethylamino)ethyl]benzamide
CID 142461463
3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 127118554
2-(4-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 78823248
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CID 42266128
N-(2-morpholin-4-ylethyl)-3-[2-(trifluoromethyl)anilino]propanamide
CID 109016632
2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 17217479
5-(4-chlorophenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 7306840
2-(4-chlorophenyl)-N-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]acetamide
CID 110729885
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)acetamide
CID 110766797
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 108994922
2-[5-[2,6-dichloro-4-(trifluoromethyl)anilino]-2-fluorophenyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 87262022

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(4-chlorophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-[4-[5-(4-chlorophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(2-morpholin-4-ylethyl)acetamide (CID 142461387) is 2-[4-[5-(4-chlorophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[4-[5-(4-chlorophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-[4-[5-(4-chlorophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(2-morpholin-4-ylethyl)acetamide is O=C(Cc1ccc(-c2ccc(-c3ccc(Cl)cc3)n2-c2ccccc2C(F)(F)F)cc1)NCCN1CCOCC1.
What is the InChIKey of 2-[4-[5-(4-chlorophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is AEBBZQKTTKSZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29ClF3N3O2/c32-25-11-9-24(10-12-25)28-14-13-27(38(28)29-4-2-1-3-26(29)31(33,34)35)23-7-5-22(6-8-23)21-30(39)36-15-16-37-17-19-40-20-18-37/h1-14H,15-21H2,(H,36,39).
What are the key properties of 2-[4-[5-(4-chlorophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(2-morpholin-4-ylethyl)acetamide?
2-[4-[5-(4-chlorophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 568.04 g/mol, XLogP of 6.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(4-chlorophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]phenyl]-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 142461387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).