N-[[4-(carbamoylamino)phenyl]methyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide

C20H22FN3O2 — CID 55523814

IUPACN-[[4-(carbamoylamino)phenyl]methyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
SMILESNC(=O)Nc1ccc(CNC(=O)C2(c3ccc(F)cc3)CCCC2)cc1
InChIInChI=1S/C20H22FN3O2/c21-16-7-5-15(6-8-16)20(11-1-2-12-20)18(25)23-13-14-3-9-17(10-4-14)24-19(22)26/h3-10H,1-2,11-13H2,(H,23,25)(H3,22,24,26)
InChIKeyPVTXBABWJJMSEM-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.44
Rot. Bonds5

About N-[[4-(carbamoylamino)phenyl]methyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide

N-[[4-(carbamoylamino)phenyl]methyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide (PubChem CID 55523814) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is N-[[4-(carbamoylamino)phenyl]methyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(carbamoylamino)phenyl]methyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
PubChem CID55523814
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC NameN-[[4-(carbamoylamino)phenyl]methyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
SMILESNC(=O)Nc1ccc(CNC(=O)C2(c3ccc(F)cc3)CCCC2)cc1
InChIInChI=1S/C20H22FN3O2/c21-16-7-5-15(6-8-16)20(11-1-2-12-20)18(25)23-13-14-3-9-17(10-4-14)24-19(22)26/h3-10H,1-2,11-13H2,(H,23,25)(H3,22,24,26)
InChIKeyPVTXBABWJJMSEM-UHFFFAOYSA-N
XLogP3.44
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-acetamidophenyl)-N-[(4-fluorophenyl)methyl]cyclobutane-1-carboxamide
CID 53110556
1-(4-fluorophenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide
CID 55961922
1-(4-acetamidophenyl)-N-[(3,5-difluorophenyl)methyl]cyclohexane-1-carboxamide
CID 53110383
1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 110438220
N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 2540117
N-(2-amino-2-oxoethyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110473843
1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide
CID 51155660
2-[[2-[4-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224606
N-(2-amino-2-oxoethyl)-4-[[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]benzamide
CID 60516608
N-(2-aminoethyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119384814
N-[2-(4-aminophenyl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 119549251
1-(4-acetamidophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 53110552

Frequently Asked Questions

What is the IUPAC name of N-[[4-(carbamoylamino)phenyl]methyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[[4-(carbamoylamino)phenyl]methyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide (CID 55523814) is N-[[4-(carbamoylamino)phenyl]methyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[[4-(carbamoylamino)phenyl]methyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[[4-(carbamoylamino)phenyl]methyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide is NC(=O)Nc1ccc(CNC(=O)C2(c3ccc(F)cc3)CCCC2)cc1.
What is the InChIKey of N-[[4-(carbamoylamino)phenyl]methyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
The InChIKey is PVTXBABWJJMSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c21-16-7-5-15(6-8-16)20(11-1-2-12-20)18(25)23-13-14-3-9-17(10-4-14)24-19(22)26/h3-10H,1-2,11-13H2,(H,23,25)(H3,22,24,26).
What are the key properties of N-[[4-(carbamoylamino)phenyl]methyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
N-[[4-(carbamoylamino)phenyl]methyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide has a molecular weight of 355.41 g/mol, XLogP of 3.44, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(carbamoylamino)phenyl]methyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 55523814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).