5-chloro-N-(2,2-dimethylpropyl)-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide

C15H19ClF3NO2 — CID 56531101

IUPAC5-chloro-N-(2,2-dimethylpropyl)-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOc1ccc(Cl)cc1C(=O)N(CC(C)(C)C)CC(F)(F)F
InChIInChI=1S/C15H19ClF3NO2/c1-14(2,3)8-20(9-15(17,18)19)13(21)11-7-10(16)5-6-12(11)22-4/h5-7H,8-9H2,1-4H3
InChIKeyFECDAQQDVDVLCA-UHFFFAOYSA-N
MW337.77 g/mol
LogP4.40
Rot. Bonds4

About 5-chloro-N-(2,2-dimethylpropyl)-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide

5-chloro-N-(2,2-dimethylpropyl)-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 56531101) has the molecular formula C15H19ClF3NO2 and a molecular weight of 337.77 g/mol. Its IUPAC name is 5-chloro-N-(2,2-dimethylpropyl)-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name5-chloro-N-(2,2-dimethylpropyl)-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID56531101
Molecular FormulaC15H19ClF3NO2
Molecular Weight337.77 g/mol
Exact Mass337.11
IUPAC Name5-chloro-N-(2,2-dimethylpropyl)-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOc1ccc(Cl)cc1C(=O)N(CC(C)(C)C)CC(F)(F)F
InChIInChI=1S/C15H19ClF3NO2/c1-14(2,3)8-20(9-15(17,18)19)13(21)11-7-10(16)5-6-12(11)22-4/h5-7H,8-9H2,1-4H3
InChIKeyFECDAQQDVDVLCA-UHFFFAOYSA-N
XLogP4.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-5-chloro-N-ethyl-2-methoxybenzamide
CID 79667577
N-(2-chloroethyl)-2-methoxy-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107492183
N-(2-chloroethyl)-2,5-dimethoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107492086
N-(2-bromoethyl)-5-chloro-N-ethyl-2-methoxybenzamide
CID 80661232
4-butoxy-N-(2,2-dimethylpropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 56531111
5-chloro-2-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257735
1-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-one
CID 62789919
2-[(2,5-dichlorobenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990430
5-chloro-N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide
CID 108540892
5-chloro-N-(2,3-dimethoxy-2-methylpropyl)-2-methoxybenzamide
CID 122243925
1-[(5-chloro-2-methoxybenzoyl)-(1,1,1-trifluorobutan-2-yl)amino]-1-(1,1,1-trifluorobutan-2-yl)urea
CID 87692796
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,2-dimethylpropyl)-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 5-chloro-N-(2,2-dimethylpropyl)-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide (CID 56531101) is 5-chloro-N-(2,2-dimethylpropyl)-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 5-chloro-N-(2,2-dimethylpropyl)-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 5-chloro-N-(2,2-dimethylpropyl)-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide is COc1ccc(Cl)cc1C(=O)N(CC(C)(C)C)CC(F)(F)F.
What is the InChIKey of 5-chloro-N-(2,2-dimethylpropyl)-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is FECDAQQDVDVLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF3NO2/c1-14(2,3)8-20(9-15(17,18)19)13(21)11-7-10(16)5-6-12(11)22-4/h5-7H,8-9H2,1-4H3.
What are the key properties of 5-chloro-N-(2,2-dimethylpropyl)-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
5-chloro-N-(2,2-dimethylpropyl)-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 337.77 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,2-dimethylpropyl)-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 56531101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).