N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,4,5-trimethoxybenzamide

C20H22FNO4 — CID 42265991

IUPACN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCC2(c3ccc(F)cc3)CC2)cc(OC)c1OC
InChIInChI=1S/C20H22FNO4/c1-24-16-10-13(11-17(25-2)18(16)26-3)19(23)22-12-20(8-9-20)14-4-6-15(21)7-5-14/h4-7,10-11H,8-9,12H2,1-3H3,(H,22,23)
InChIKeyMJSNOVLKFNMKDD-UHFFFAOYSA-N
MW359.40 g/mol
LogP3.31
Rot. Bonds7

About N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,4,5-trimethoxybenzamide

N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,4,5-trimethoxybenzamide (PubChem CID 42265991) has the molecular formula C20H22FNO4 and a molecular weight of 359.40 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,4,5-trimethoxybenzamide
PubChem CID42265991
Molecular FormulaC20H22FNO4
Molecular Weight359.40 g/mol
Exact Mass359.15
IUPAC NameN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NCC2(c3ccc(F)cc3)CC2)cc(OC)c1OC
InChIInChI=1S/C20H22FNO4/c1-24-16-10-13(11-17(25-2)18(16)26-3)19(23)22-12-20(8-9-20)14-4-6-15(21)7-5-14/h4-7,10-11H,8-9,12H2,1-3H3,(H,22,23)
InChIKeyMJSNOVLKFNMKDD-UHFFFAOYSA-N
XLogP3.31
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,5-dimethylbenzamide
CID 42266032
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 60514945
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111377022
3-fluoro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide
CID 42265593
3,4,5-trimethoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449244
1-ethyl-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111378017
N-[(1-hydroxycyclobutyl)methyl]-3,4,5-trimethoxybenzamide
CID 115643433
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-hydroxy-5-methoxybenzamide
CID 112835530
3-chloro-5-methoxy-N-[(1-phenylcyclopropyl)methyl]-4-propan-2-yloxybenzamide
CID 42145534
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide
CID 42266020
3-(3,4-dimethoxyphenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 113090680
3,4,5-trimethoxy-N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]benzamide
CID 113084931

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,4,5-trimethoxybenzamide (CID 42265991) is N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NCC2(c3ccc(F)cc3)CC2)cc(OC)c1OC.
What is the InChIKey of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,4,5-trimethoxybenzamide?
The InChIKey is MJSNOVLKFNMKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO4/c1-24-16-10-13(11-17(25-2)18(16)26-3)19(23)22-12-20(8-9-20)14-4-6-15(21)7-5-14/h4-7,10-11H,8-9,12H2,1-3H3,(H,22,23).
What are the key properties of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,4,5-trimethoxybenzamide?
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,4,5-trimethoxybenzamide has a molecular weight of 359.40 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 42265991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).