N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]cyclopentanecarboxamide

C21H24FN3O2 — CID 156825046

IUPACN-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]cyclopentanecarboxamide
SMILESO=C(NCc1ccc(F)cc1)Nc1ccc(CNC(=O)C2CCCC2)cc1
InChIInChI=1S/C21H24FN3O2/c22-18-9-5-15(6-10-18)14-24-21(27)25-19-11-7-16(8-12-19)13-23-20(26)17-3-1-2-4-17/h5-12,17H,1-4,13-14H2,(H,23,26)(H2,24,25,27)
InChIKeyRFCHFWKJTDTZLE-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.95
Rot. Bonds6

About N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]cyclopentanecarboxamide

N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]cyclopentanecarboxamide (PubChem CID 156825046) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]cyclopentanecarboxamide
PubChem CID156825046
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC NameN-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]cyclopentanecarboxamide
SMILESO=C(NCc1ccc(F)cc1)Nc1ccc(CNC(=O)C2CCCC2)cc1
InChIInChI=1S/C21H24FN3O2/c22-18-9-5-15(6-10-18)14-24-21(27)25-19-11-7-16(8-12-19)13-23-20(26)17-3-1-2-4-17/h5-12,17H,1-4,13-14H2,(H,23,26)(H2,24,25,27)
InChIKeyRFCHFWKJTDTZLE-UHFFFAOYSA-N
XLogP3.95
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]acetamide
CID 156825138
4-N-(4-ethylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148445
1-[4-[[(4-fluorophenyl)carbamoylamino]methyl]phenyl]piperidine-3-carboxamide
CID 47062453
N-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119311250
1-N-[(4-fluorophenyl)methyl]-4-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148415
N-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide
CID 115151196
N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]propanamide
CID 156825130
3-amino-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 55146737
N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]cyclohexanecarboxamide
CID 113012101
(3R)-3-N-benzyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 51686692
N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985646
4-ethyl-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 123258530

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]cyclopentanecarboxamide?
The IUPAC name of N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]cyclopentanecarboxamide (CID 156825046) is N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]cyclopentanecarboxamide is O=C(NCc1ccc(F)cc1)Nc1ccc(CNC(=O)C2CCCC2)cc1.
What is the InChIKey of N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]cyclopentanecarboxamide?
The InChIKey is RFCHFWKJTDTZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c22-18-9-5-15(6-10-18)14-24-21(27)25-19-11-7-16(8-12-19)13-23-20(26)17-3-1-2-4-17/h5-12,17H,1-4,13-14H2,(H,23,26)(H2,24,25,27).
What are the key properties of N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]cyclopentanecarboxamide?
N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]cyclopentanecarboxamide has a molecular weight of 369.44 g/mol, XLogP of 3.95, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]cyclopentanecarboxamide is sourced from PubChem (CID 156825046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).