N-[1-(2,5-difluorophenyl)cyclopropyl]-2-methoxy-6-methylbenzamide

C18H17F2NO2 — CID 131908378

IUPACN-[1-(2,5-difluorophenyl)cyclopropyl]-2-methoxy-6-methylbenzamide
SMILESCOc1cccc(C)c1C(=O)NC1(c2cc(F)ccc2F)CC1
InChIInChI=1S/C18H17F2NO2/c1-11-4-3-5-15(23-2)16(11)17(22)21-18(8-9-18)13-10-12(19)6-7-14(13)20/h3-7,10H,8-9H2,1-2H3,(H,21,22)
InChIKeyLGVPDUHFPARLPU-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.70
Rot. Bonds4

About N-[1-(2,5-difluorophenyl)cyclopropyl]-2-methoxy-6-methylbenzamide

N-[1-(2,5-difluorophenyl)cyclopropyl]-2-methoxy-6-methylbenzamide (PubChem CID 131908378) has the molecular formula C18H17F2NO2 and a molecular weight of 317.34 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)cyclopropyl]-2-methoxy-6-methylbenzamide.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)cyclopropyl]-2-methoxy-6-methylbenzamide
PubChem CID131908378
Molecular FormulaC18H17F2NO2
Molecular Weight317.34 g/mol
Exact Mass317.12
IUPAC NameN-[1-(2,5-difluorophenyl)cyclopropyl]-2-methoxy-6-methylbenzamide
SMILESCOc1cccc(C)c1C(=O)NC1(c2cc(F)ccc2F)CC1
InChIInChI=1S/C18H17F2NO2/c1-11-4-3-5-15(23-2)16(11)17(22)21-18(8-9-18)13-10-12(19)6-7-14(13)20/h3-7,10H,8-9H2,1-2H3,(H,21,22)
InChIKeyLGVPDUHFPARLPU-UHFFFAOYSA-N
XLogP3.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,5-difluorophenyl)cyclopropyl]-4-methoxypyridine-2-carboxamide
CID 122562392
N'-[1-(2,5-difluorophenyl)cyclopropyl]-N-(2,3-dimethylphenyl)propanediamide
CID 50952194
N-[1-(2,5-difluorophenyl)cyclopropyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
CID 170512927
2,6-dimethoxy-N-(1-phenylcyclopropyl)benzamide
CID 110443986
N-[1-(2,5-difluorophenyl)cyclopropyl]-2-propan-2-ylpyrimidine-5-carboxamide
CID 74239991
N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-6-methylbenzamide
CID 131891690
N-[(3R)-3-(2,5-difluorophenyl)-1-methylpiperidin-3-yl]-2-methoxy-6-methylsulfanyl-4-(trifluoromethyl)benzamide
CID 46849106
1-[(2-fluoro-6-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 65433406
methyl N-[1-(2,3,4-trifluorophenyl)cyclopropyl]carbamate
CID 110477797
2-[1-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 65433607
2-amino-6-methyl-N-(1-naphthalen-1-ylcyclopropyl)benzamide
CID 174193126
N-[1-(aminomethyl)cyclohexyl]-2-fluoro-6-methoxybenzamide
CID 65432344

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)cyclopropyl]-2-methoxy-6-methylbenzamide?
The IUPAC name of N-[1-(2,5-difluorophenyl)cyclopropyl]-2-methoxy-6-methylbenzamide (CID 131908378) is N-[1-(2,5-difluorophenyl)cyclopropyl]-2-methoxy-6-methylbenzamide.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)cyclopropyl]-2-methoxy-6-methylbenzamide?
The canonical SMILES for N-[1-(2,5-difluorophenyl)cyclopropyl]-2-methoxy-6-methylbenzamide is COc1cccc(C)c1C(=O)NC1(c2cc(F)ccc2F)CC1.
What is the InChIKey of N-[1-(2,5-difluorophenyl)cyclopropyl]-2-methoxy-6-methylbenzamide?
The InChIKey is LGVPDUHFPARLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO2/c1-11-4-3-5-15(23-2)16(11)17(22)21-18(8-9-18)13-10-12(19)6-7-14(13)20/h3-7,10H,8-9H2,1-2H3,(H,21,22).
What are the key properties of N-[1-(2,5-difluorophenyl)cyclopropyl]-2-methoxy-6-methylbenzamide?
N-[1-(2,5-difluorophenyl)cyclopropyl]-2-methoxy-6-methylbenzamide has a molecular weight of 317.34 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)cyclopropyl]-2-methoxy-6-methylbenzamide is sourced from PubChem (CID 131908378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).