N-[cyclopropyl-(4-methoxyphenyl)methyl]-3,4-difluorobenzamide

C18H17F2NO2 — CID 46571976

IUPACN-[cyclopropyl-(4-methoxyphenyl)methyl]-3,4-difluorobenzamide
SMILESCOc1ccc(C(NC(=O)c2ccc(F)c(F)c2)C2CC2)cc1
InChIInChI=1S/C18H17F2NO2/c1-23-14-7-4-12(5-8-14)17(11-2-3-11)21-18(22)13-6-9-15(19)16(20)10-13/h4-11,17H,2-3H2,1H3,(H,21,22)
InChIKeyVQFLCBWKRQNNRW-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.85
Rot. Bonds5

About N-[cyclopropyl-(4-methoxyphenyl)methyl]-3,4-difluorobenzamide

N-[cyclopropyl-(4-methoxyphenyl)methyl]-3,4-difluorobenzamide (PubChem CID 46571976) has the molecular formula C18H17F2NO2 and a molecular weight of 317.34 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methoxyphenyl)methyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-3,4-difluorobenzamide
PubChem CID46571976
Molecular FormulaC18H17F2NO2
Molecular Weight317.34 g/mol
Exact Mass317.12
IUPAC NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-3,4-difluorobenzamide
SMILESCOc1ccc(C(NC(=O)c2ccc(F)c(F)c2)C2CC2)cc1
InChIInChI=1S/C18H17F2NO2/c1-23-14-7-4-12(5-8-14)17(11-2-3-11)21-18(22)13-6-9-15(19)16(20)10-13/h4-11,17H,2-3H2,1H3,(H,21,22)
InChIKeyVQFLCBWKRQNNRW-UHFFFAOYSA-N
XLogP3.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopropyl-(4-methoxyphenyl)methyl]benzamide
CID 46566275
4-[4-[[cyclopropyl-(4-methoxyphenyl)methyl]carbamoyl]phenoxy]benzamide
CID 56545772
N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 38468848
N-[(R)-cyclopentyl(phenyl)methyl]-4-methoxybenzamide
CID 978301
2-(4-chlorophenyl)-N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 51688261
1-cyclopropyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]benzimidazole-5-carboxamide
CID 46976355
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170
4-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-iodobenzamide
CID 55686041
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 55470366
N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 55461380
N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-4-morpholin-4-ylbenzamide
CID 92627391
N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-3-fluorobenzamide
CID 78829079

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-3,4-difluorobenzamide?
The IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-3,4-difluorobenzamide (CID 46571976) is N-[cyclopropyl-(4-methoxyphenyl)methyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[cyclopropyl-(4-methoxyphenyl)methyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[cyclopropyl-(4-methoxyphenyl)methyl]-3,4-difluorobenzamide is COc1ccc(C(NC(=O)c2ccc(F)c(F)c2)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methoxyphenyl)methyl]-3,4-difluorobenzamide?
The InChIKey is VQFLCBWKRQNNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO2/c1-23-14-7-4-12(5-8-14)17(11-2-3-11)21-18(22)13-6-9-15(19)16(20)10-13/h4-11,17H,2-3H2,1H3,(H,21,22).
What are the key properties of N-[cyclopropyl-(4-methoxyphenyl)methyl]-3,4-difluorobenzamide?
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3,4-difluorobenzamide has a molecular weight of 317.34 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methoxyphenyl)methyl]-3,4-difluorobenzamide is sourced from PubChem (CID 46571976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).