N-[5-(cyclopentylmethylamino)-2-fluorophenyl]acetamide

C14H19FN2O — CID 62069998

IUPACN-[5-(cyclopentylmethylamino)-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(NCC2CCCC2)ccc1F
InChIInChI=1S/C14H19FN2O/c1-10(18)17-14-8-12(6-7-13(14)15)16-9-11-4-2-3-5-11/h6-8,11,16H,2-5,9H2,1H3,(H,17,18)
InChIKeySCHOQPVKFQLTHN-UHFFFAOYSA-N
MW250.32 g/mol
LogP3.39
Rot. Bonds4

About N-[5-(cyclopentylmethylamino)-2-fluorophenyl]acetamide

N-[5-(cyclopentylmethylamino)-2-fluorophenyl]acetamide (PubChem CID 62069998) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is N-[5-(cyclopentylmethylamino)-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[5-(cyclopentylmethylamino)-2-fluorophenyl]acetamide
PubChem CID62069998
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC NameN-[5-(cyclopentylmethylamino)-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cc(NCC2CCCC2)ccc1F
InChIInChI=1S/C14H19FN2O/c1-10(18)17-14-8-12(6-7-13(14)15)16-9-11-4-2-3-5-11/h6-8,11,16H,2-5,9H2,1H3,(H,17,18)
InChIKeySCHOQPVKFQLTHN-UHFFFAOYSA-N
XLogP3.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-(cyclohexylmethylamino)-2-fluorophenyl]acetamide
CID 54862921
N-(5-acetamido-2-fluorophenyl)-3-cyclopentylpropanamide
CID 46555414
N-(cyclopentylmethyl)-3,4-difluoroaniline
CID 61344637
N-[2-fluoro-5-[(2,4,5-trifluorophenyl)methylamino]phenyl]acetamide
CID 75469999
N-[2-fluoro-5-(2-methylpropylamino)phenyl]acetamide
CID 60928010
N-(3-acetamido-4-fluorophenyl)-2-aminocyclohexane-1-carboxamide
CID 64822591
(3S)-4-(5-acetamido-2-fluoroanilino)-3-cyclohexyl-3-methyl-4-oxobutanoic acid
CID 99773752
3-chloro-N-(cyclooctylmethyl)-4-fluoroaniline
CID 114207702
N-[5-(cyclopropylcarbamoylamino)-2-fluorophenyl]acetamide
CID 47162368
N-(5-acetamido-2-fluorophenyl)cyclobutanecarboxamide
CID 46429163
N-[5-[(5-bromo-2-fluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 60927782
N-[4-fluoro-3-(pyrrolidin-2-ylmethylamino)phenyl]acetamide
CID 106637015

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopentylmethylamino)-2-fluorophenyl]acetamide?
The IUPAC name of N-[5-(cyclopentylmethylamino)-2-fluorophenyl]acetamide (CID 62069998) is N-[5-(cyclopentylmethylamino)-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[5-(cyclopentylmethylamino)-2-fluorophenyl]acetamide?
The canonical SMILES for N-[5-(cyclopentylmethylamino)-2-fluorophenyl]acetamide is CC(=O)Nc1cc(NCC2CCCC2)ccc1F.
What is the InChIKey of N-[5-(cyclopentylmethylamino)-2-fluorophenyl]acetamide?
The InChIKey is SCHOQPVKFQLTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-10(18)17-14-8-12(6-7-13(14)15)16-9-11-4-2-3-5-11/h6-8,11,16H,2-5,9H2,1H3,(H,17,18).
What are the key properties of N-[5-(cyclopentylmethylamino)-2-fluorophenyl]acetamide?
N-[5-(cyclopentylmethylamino)-2-fluorophenyl]acetamide has a molecular weight of 250.32 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopentylmethylamino)-2-fluorophenyl]acetamide is sourced from PubChem (CID 62069998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).