5-chloro-N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methoxybenzamide

C20H20ClF2NO2 — CID 84580312

IUPAC5-chloro-N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCC1(c2ccc(F)cc2F)CC1(C)C
InChIInChI=1S/C20H20ClF2NO2/c1-19(2)10-20(19,15-6-5-13(22)9-16(15)23)11-24-18(25)14-8-12(21)4-7-17(14)26-3/h4-9H,10-11H2,1-3H3,(H,24,25)
InChIKeyDTMIQJVDDYLPGU-UHFFFAOYSA-N
MW379.83 g/mol
LogP4.72
Rot. Bonds5

About 5-chloro-N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methoxybenzamide

5-chloro-N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methoxybenzamide (PubChem CID 84580312) has the molecular formula C20H20ClF2NO2 and a molecular weight of 379.83 g/mol. Its IUPAC name is 5-chloro-N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methoxybenzamide
PubChem CID84580312
Molecular FormulaC20H20ClF2NO2
Molecular Weight379.83 g/mol
Exact Mass379.12
IUPAC Name5-chloro-N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCC1(c2ccc(F)cc2F)CC1(C)C
InChIInChI=1S/C20H20ClF2NO2/c1-19(2)10-20(19,15-6-5-13(22)9-16(15)23)11-24-18(25)14-8-12(21)4-7-17(14)26-3/h4-9H,10-11H2,1-3H3,(H,24,25)
InChIKeyDTMIQJVDDYLPGU-UHFFFAOYSA-N
XLogP4.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.83
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]carbamate
CID 84581564
5-chloro-2-methoxy-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 78957154
(5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339633
N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide
CID 108540873
5-chloro-N-[(6-hydroxy-1,4-dithiepan-6-yl)methyl]-2-methoxybenzamide
CID 146080294
5-chloro-N-[3-(4-fluorophenyl)prop-2-ynyl]-2-methoxybenzamide
CID 90548144
5-chloro-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-methoxybenzamide
CID 95984859
2-[1-[[(5-chloro-2-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 81165285
N-(2-aminoethyl)-5-fluoro-2-methoxybenzamide
CID 119385341
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
5-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methoxybenzamide
CID 100529367
(5-chloro-2-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanone
CID 81274056

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methoxybenzamide (CID 84580312) is 5-chloro-N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NCC1(c2ccc(F)cc2F)CC1(C)C.
What is the InChIKey of 5-chloro-N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methoxybenzamide?
The InChIKey is DTMIQJVDDYLPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClF2NO2/c1-19(2)10-20(19,15-6-5-13(22)9-16(15)23)11-24-18(25)14-8-12(21)4-7-17(14)26-3/h4-9H,10-11H2,1-3H3,(H,24,25).
What are the key properties of 5-chloro-N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methoxybenzamide?
5-chloro-N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methoxybenzamide has a molecular weight of 379.83 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 84580312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).