1-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]cyclopentane-1-carboxamide

C14H19FN2O2 — CID 119301154

IUPAC1-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]cyclopentane-1-carboxamide
SMILESNC1(C(=O)NCc2ccc(CO)c(F)c2)CCCC1
InChIInChI=1S/C14H19FN2O2/c15-12-7-10(3-4-11(12)9-18)8-17-13(19)14(16)5-1-2-6-14/h3-4,7,18H,1-2,5-6,8-9,16H2,(H,17,19)
InChIKeySZTAISGJYVNFAX-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.21
Rot. Bonds4

About 1-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]cyclopentane-1-carboxamide

1-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]cyclopentane-1-carboxamide (PubChem CID 119301154) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]cyclopentane-1-carboxamide
PubChem CID119301154
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name1-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]cyclopentane-1-carboxamide
SMILESNC1(C(=O)NCc2ccc(CO)c(F)c2)CCCC1
InChIInChI=1S/C14H19FN2O2/c15-12-7-10(3-4-11(12)9-18)8-17-13(19)14(16)5-1-2-6-14/h3-4,7,18H,1-2,5-6,8-9,16H2,(H,17,19)
InChIKeySZTAISGJYVNFAX-UHFFFAOYSA-N
XLogP1.21
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-Hydroxymethylbenzyl)trifluoroacetamide
CID 15852209
N-[(2S)-2-(dimethylamino)pentyl]-2-[4-(hydroxymethyl)phenyl]acetamide
CID 129613881
(2S)-N-(cyanomethyl)-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-[4-(hydroxymethyl)phenyl]phenyl]ethyl]amino]pentanamide
CID 10173492
trans-(1R,2R)-N-[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-2-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide
CID 59111327
(2S)-2-amino-4-methyl-N-[(1S)-2,2,2-trifluoro-1-[4-(2-hydroxypropan-2-yl)phenyl]ethyl]pentanamide
CID 69140477
N-cyclohexyl-3,5-difluoro-4-(hydroxymethyl)benzamide
CID 70878840
3,5-difluoro-4-(hydroxymethyl)-N-(3-methylbutan-2-yl)benzamide
CID 70878841
N-cyclohexyl-3-fluoro-4-(hydroxymethyl)benzamide
CID 70878845
3,5-difluoro-4-(hydroxymethyl)-N-(2-methylcyclopentyl)benzamide
CID 70878846
3-fluoro-4-(hydroxymethyl)-N-(3-methylbutan-2-yl)benzamide
CID 70878860
3-fluoro-4-(hydroxymethyl)-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 70878868
3-fluoro-4-(hydroxymethyl)-N-(2-methylcyclopentyl)benzamide
CID 70878872

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]cyclopentane-1-carboxamide (CID 119301154) is 1-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]cyclopentane-1-carboxamide is NC1(C(=O)NCc2ccc(CO)c(F)c2)CCCC1.
What is the InChIKey of 1-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]cyclopentane-1-carboxamide?
The InChIKey is SZTAISGJYVNFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c15-12-7-10(3-4-11(12)9-18)8-17-13(19)14(16)5-1-2-6-14/h3-4,7,18H,1-2,5-6,8-9,16H2,(H,17,19).
What are the key properties of 1-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]cyclopentane-1-carboxamide?
1-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]cyclopentane-1-carboxamide has a molecular weight of 266.32 g/mol, XLogP of 1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119301154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).