N-(2-chloro-5-methoxyphenyl)-2-nitroso-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide

C24H20ClF3N2O3 — CID 91194227

IUPACN-(2-chloro-5-methoxyphenyl)-2-nitroso-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCOc1ccc(Cl)c(N(CCc2ccc(C(F)(F)F)cc2)C(=O)C(N=O)c2ccccc2)c1
InChIInChI=1S/C24H20ClF3N2O3/c1-33-19-11-12-20(25)21(15-19)30(23(31)22(29-32)17-5-3-2-4-6-17)14-13-16-7-9-18(10-8-16)24(26,27)28/h2-12,15,22H,13-14H2,1H3
InChIKeyAUKFHMGPZKXSQZ-UHFFFAOYSA-N
MW476.88 g/mol
LogP6.45
Rot. Bonds8

About N-(2-chloro-5-methoxyphenyl)-2-nitroso-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide

N-(2-chloro-5-methoxyphenyl)-2-nitroso-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 91194227) has the molecular formula C24H20ClF3N2O3 and a molecular weight of 476.88 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)-2-nitroso-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-5-methoxyphenyl)-2-nitroso-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
PubChem CID91194227
Molecular FormulaC24H20ClF3N2O3
Molecular Weight476.88 g/mol
Exact Mass476.11
IUPAC NameN-(2-chloro-5-methoxyphenyl)-2-nitroso-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCOc1ccc(Cl)c(N(CCc2ccc(C(F)(F)F)cc2)C(=O)C(N=O)c2ccccc2)c1
InChIInChI=1S/C24H20ClF3N2O3/c1-33-19-11-12-20(25)21(15-19)30(23(31)22(29-32)17-5-3-2-4-6-17)14-13-16-7-9-18(10-8-16)24(26,27)28/h2-12,15,22H,13-14H2,1H3
InChIKeyAUKFHMGPZKXSQZ-UHFFFAOYSA-N
XLogP6.45
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.88
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-methoxy-3-pyridinyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 58007568
2-amino-N-(4-methylphenyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 25183857
3-[3,4-dimethoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]anilino]-N,N-diethyl-2-phenylbut-3-enamide
CID 70298408
2-amino-N-(1,3-benzodioxol-5-yl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide;2-amino-N-(3,4-dimethoxyphenyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 158682423
2-amino-N-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 25181697
2-amino-N-(4-decoxyphenyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 158980737
2-amino-N-(1,3-benzodioxol-5-yl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide;2-amino-N-(5-decoxy-2-sulfanylphenyl)-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 160996046
N-[2-(4-methoxyphenyl)ethyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 110287984
N-(3,4-dimethoxyphenyl)-2-phenyl-N'-pyridin-3-yl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanediamide
CID 25011804
(2R)-2-[[1-(3,4-dimethoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-phenylacetic acid
CID 59553641
2-amino-N-(3-fluoro-4-methoxyphenyl)-2-(2-methoxyphenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 25183549
N-(3,4-dimethoxyphenyl)-N'-[(4-methylphenyl)methyl]-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanediamide;3-[3,4-dimethoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]anilino]-3-oxo-2-phenylpropanoic acid
CID 158942975

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)-2-nitroso-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The IUPAC name of N-(2-chloro-5-methoxyphenyl)-2-nitroso-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide (CID 91194227) is N-(2-chloro-5-methoxyphenyl)-2-nitroso-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)-2-nitroso-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The canonical SMILES for N-(2-chloro-5-methoxyphenyl)-2-nitroso-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide is COc1ccc(Cl)c(N(CCc2ccc(C(F)(F)F)cc2)C(=O)C(N=O)c2ccccc2)c1.
What is the InChIKey of N-(2-chloro-5-methoxyphenyl)-2-nitroso-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The InChIKey is AUKFHMGPZKXSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF3N2O3/c1-33-19-11-12-20(25)21(15-19)30(23(31)22(29-32)17-5-3-2-4-6-17)14-13-16-7-9-18(10-8-16)24(26,27)28/h2-12,15,22H,13-14H2,1H3.
What are the key properties of N-(2-chloro-5-methoxyphenyl)-2-nitroso-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
N-(2-chloro-5-methoxyphenyl)-2-nitroso-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide has a molecular weight of 476.88 g/mol, XLogP of 6.45, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methoxyphenyl)-2-nitroso-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 91194227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).