5-[[1-(3-fluorophenyl)cyclopentyl]methylcarbamoylamino]-2-methoxybenzamide

C21H24FN3O3 — CID 118791601

IUPAC5-[[1-(3-fluorophenyl)cyclopentyl]methylcarbamoylamino]-2-methoxybenzamide
SMILESCOc1ccc(NC(=O)NCC2(c3cccc(F)c3)CCCC2)cc1C(N)=O
InChIInChI=1S/C21H24FN3O3/c1-28-18-8-7-16(12-17(18)19(23)26)25-20(27)24-13-21(9-2-3-10-21)14-5-4-6-15(22)11-14/h4-8,11-12H,2-3,9-10,13H2,1H3,(H2,23,26)(H2,24,25,27)
InChIKeyXHPJOYJUTWOGQN-UHFFFAOYSA-N
MW385.44 g/mol
LogP3.57
Rot. Bonds6

About 5-[[1-(3-fluorophenyl)cyclopentyl]methylcarbamoylamino]-2-methoxybenzamide

5-[[1-(3-fluorophenyl)cyclopentyl]methylcarbamoylamino]-2-methoxybenzamide (PubChem CID 118791601) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is 5-[[1-(3-fluorophenyl)cyclopentyl]methylcarbamoylamino]-2-methoxybenzamide.

Molecular Properties

Compound Name5-[[1-(3-fluorophenyl)cyclopentyl]methylcarbamoylamino]-2-methoxybenzamide
PubChem CID118791601
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC Name5-[[1-(3-fluorophenyl)cyclopentyl]methylcarbamoylamino]-2-methoxybenzamide
SMILESCOc1ccc(NC(=O)NCC2(c3cccc(F)c3)CCCC2)cc1C(N)=O
InChIInChI=1S/C21H24FN3O3/c1-28-18-8-7-16(12-17(18)19(23)26)25-20(27)24-13-21(9-2-3-10-21)14-5-4-6-15(22)11-14/h4-8,11-12H,2-3,9-10,13H2,1H3,(H2,23,26)(H2,24,25,27)
InChIKeyXHPJOYJUTWOGQN-UHFFFAOYSA-N
XLogP3.57
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26364802
N-[[4-(3-fluorophenyl)-1-sulfamoylazepan-4-yl]methyl]-2-methoxybenzamide
CID 23600982
1-(3,4-dimethoxyphenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214699
1-[1-(3,4-dimethoxyphenyl)cyclopropyl]-3-(3-fluorophenyl)urea
CID 113215891
3,4-dimethoxy-N-[4-[(1-phenylcyclopentyl)methylcarbamoyl]phenyl]benzamide
CID 2960603
1-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119332781
N'-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]oxamide
CID 27262045
N-[[4-(3,4-dimethoxyphenyl)oxan-4-yl]methyl]-3-fluorobenzamide
CID 112503018
1-(3,4-difluorophenyl)-3-[(1-phenylcyclobutyl)methyl]urea
CID 113215039
1-(3-methylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea
CID 14977495
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 51125078
1-(3,4-dimethoxyphenyl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 51290602

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(3-fluorophenyl)cyclopentyl]methylcarbamoylamino]-2-methoxybenzamide?
The IUPAC name of 5-[[1-(3-fluorophenyl)cyclopentyl]methylcarbamoylamino]-2-methoxybenzamide (CID 118791601) is 5-[[1-(3-fluorophenyl)cyclopentyl]methylcarbamoylamino]-2-methoxybenzamide.
What is the SMILES notation for 5-[[1-(3-fluorophenyl)cyclopentyl]methylcarbamoylamino]-2-methoxybenzamide?
The canonical SMILES for 5-[[1-(3-fluorophenyl)cyclopentyl]methylcarbamoylamino]-2-methoxybenzamide is COc1ccc(NC(=O)NCC2(c3cccc(F)c3)CCCC2)cc1C(N)=O.
What is the InChIKey of 5-[[1-(3-fluorophenyl)cyclopentyl]methylcarbamoylamino]-2-methoxybenzamide?
The InChIKey is XHPJOYJUTWOGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3/c1-28-18-8-7-16(12-17(18)19(23)26)25-20(27)24-13-21(9-2-3-10-21)14-5-4-6-15(22)11-14/h4-8,11-12H,2-3,9-10,13H2,1H3,(H2,23,26)(H2,24,25,27).
What are the key properties of 5-[[1-(3-fluorophenyl)cyclopentyl]methylcarbamoylamino]-2-methoxybenzamide?
5-[[1-(3-fluorophenyl)cyclopentyl]methylcarbamoylamino]-2-methoxybenzamide has a molecular weight of 385.44 g/mol, XLogP of 3.57, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(3-fluorophenyl)cyclopentyl]methylcarbamoylamino]-2-methoxybenzamide is sourced from PubChem (CID 118791601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).