(3R)-3-[4-chloro-3-(trifluoromethyl)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)propanamide

C30H23ClF4N2O2 — CID 98444385

IUPAC(3R)-3-[4-chloro-3-(trifluoromethyl)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)propanamide
SMILESO=C(C[C@H](c1ccc(Cl)c(C(F)(F)F)c1)c1cn(Cc2ccc(F)cc2)c2ccccc12)NCc1ccco1
InChIInChI=1S/C30H23ClF4N2O2/c31-27-12-9-20(14-26(27)30(33,34)35)24(15-29(38)36-16-22-4-3-13-39-22)25-18-37(28-6-2-1-5-23(25)28)17-19-7-10-21(32)11-8-19/h1-14,18,24H,15-17H2,(H,36,38)/t24-/m1/s1
InChIKeyRMQOEMLBLWUZKM-XMMPIXPASA-N
MW554.97 g/mol
LogP7.93
Rot. Bonds8

About (3R)-3-[4-chloro-3-(trifluoromethyl)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)propanamide

(3R)-3-[4-chloro-3-(trifluoromethyl)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)propanamide (PubChem CID 98444385) has the molecular formula C30H23ClF4N2O2 and a molecular weight of 554.97 g/mol. Its IUPAC name is (3R)-3-[4-chloro-3-(trifluoromethyl)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(3R)-3-[4-chloro-3-(trifluoromethyl)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)propanamide
PubChem CID98444385
Molecular FormulaC30H23ClF4N2O2
Molecular Weight554.97 g/mol
Exact Mass554.14
IUPAC Name(3R)-3-[4-chloro-3-(trifluoromethyl)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)propanamide
SMILESO=C(C[C@H](c1ccc(Cl)c(C(F)(F)F)c1)c1cn(Cc2ccc(F)cc2)c2ccccc12)NCc1ccco1
InChIInChI=1S/C30H23ClF4N2O2/c31-27-12-9-20(14-26(27)30(33,34)35)24(15-29(38)36-16-22-4-3-13-39-22)25-18-37(28-6-2-1-5-23(25)28)17-19-7-10-21(32)11-8-19/h1-14,18,24H,15-17H2,(H,36,38)/t24-/m1/s1
InChIKeyRMQOEMLBLWUZKM-XMMPIXPASA-N
XLogP7.93
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.97
LogP ≤ 57.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(furan-2-ylmethyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propanamide
CID 98444374
3-(4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 4019115
3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)propanamide
CID 4578736
3-[4-chloro-3-(trifluoromethyl)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-phenylpropanamide
CID 83278658
(3S)-3-[4-chloro-3-(trifluoromethyl)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(2-methoxyethyl)propanamide
CID 98444613
(3S)-3-[4-chloro-3-(trifluoromethyl)phenyl]-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-phenylpropanamide
CID 98444386
(3S)-3-(1-benzylindol-3-yl)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 98444635
3-(3,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide
CID 71957654
3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-(1-methylindol-3-yl)propanamide
CID 4266396
(3S)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(pyridin-4-ylmethyl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 98443722
(3R)-N-[(4-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)propanamide
CID 92957100
3-(1-benzyl-5-nitroindol-3-yl)-N-(furan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 83279167

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-chloro-3-(trifluoromethyl)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of (3R)-3-[4-chloro-3-(trifluoromethyl)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)propanamide (CID 98444385) is (3R)-3-[4-chloro-3-(trifluoromethyl)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for (3R)-3-[4-chloro-3-(trifluoromethyl)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for (3R)-3-[4-chloro-3-(trifluoromethyl)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)propanamide is O=C(C[C@H](c1ccc(Cl)c(C(F)(F)F)c1)c1cn(Cc2ccc(F)cc2)c2ccccc12)NCc1ccco1.
What is the InChIKey of (3R)-3-[4-chloro-3-(trifluoromethyl)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is RMQOEMLBLWUZKM-XMMPIXPASA-N. The full InChI is InChI=1S/C30H23ClF4N2O2/c31-27-12-9-20(14-26(27)30(33,34)35)24(15-29(38)36-16-22-4-3-13-39-22)25-18-37(28-6-2-1-5-23(25)28)17-19-7-10-21(32)11-8-19/h1-14,18,24H,15-17H2,(H,36,38)/t24-/m1/s1.
What are the key properties of (3R)-3-[4-chloro-3-(trifluoromethyl)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)propanamide?
(3R)-3-[4-chloro-3-(trifluoromethyl)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 554.97 g/mol, XLogP of 7.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-chloro-3-(trifluoromethyl)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 98444385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).