N-cyclopropyl-4-[(3-fluoro-4-hydroxyphenyl)methylamino]butanamide

C14H19FN2O2 — CID 107685855

IUPACN-cyclopropyl-4-[(3-fluoro-4-hydroxyphenyl)methylamino]butanamide
SMILESO=C(CCCNCc1ccc(O)c(F)c1)NC1CC1
InChIInChI=1S/C14H19FN2O2/c15-12-8-10(3-6-13(12)18)9-16-7-1-2-14(19)17-11-4-5-11/h3,6,8,11,16,18H,1-2,4-5,7,9H2,(H,17,19)
InChIKeyNXOLRNUBZFYNEG-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.68
Rot. Bonds7

About N-cyclopropyl-4-[(3-fluoro-4-hydroxyphenyl)methylamino]butanamide

N-cyclopropyl-4-[(3-fluoro-4-hydroxyphenyl)methylamino]butanamide (PubChem CID 107685855) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is N-cyclopropyl-4-[(3-fluoro-4-hydroxyphenyl)methylamino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(3-fluoro-4-hydroxyphenyl)methylamino]butanamide
PubChem CID107685855
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC NameN-cyclopropyl-4-[(3-fluoro-4-hydroxyphenyl)methylamino]butanamide
SMILESO=C(CCCNCc1ccc(O)c(F)c1)NC1CC1
InChIInChI=1S/C14H19FN2O2/c15-12-8-10(3-6-13(12)18)9-16-7-1-2-14(19)17-11-4-5-11/h3,6,8,11,16,18H,1-2,4-5,7,9H2,(H,17,19)
InChIKeyNXOLRNUBZFYNEG-UHFFFAOYSA-N
XLogP1.68
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-4-[(4-ethylphenyl)methylamino]butanamide
CID 78922158
4-[[[4-(cyclopropylamino)-4-oxobutyl]amino]methyl]benzoic acid
CID 79394418
5-[(3-fluoro-4-hydroxyphenyl)methylamino]pentanamide
CID 114161742
N-cyclopropyl-4-[[4-(dimethylamino)phenyl]methylamino]butanamide
CID 78922185
N-cyclopropyl-3-[2-fluoro-4-(propylaminomethyl)phenoxy]propanamide
CID 107687315
4-[(2-bromo-4-fluorophenyl)methylamino]-N-cyclopropylbutanamide
CID 79393798
N-cyclopropyl-3-(2,3-dihydro-1H-inden-5-ylmethylamino)propanamide
CID 79036237
N-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanamide
CID 109013440
N-cyclopropyl-3-[(4-methylphenyl)methylamino]propanamide
CID 55090993
2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N-methylethanesulfonamide
CID 106333461
N-cyclopropyl-4-[[2-(trifluoromethyl)phenyl]methylamino]butanamide
CID 112731367
N-(2,3-dihydro-1H-inden-2-yl)-2-(3-fluoro-4-hydroxyphenyl)acetamide
CID 77091778

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(3-fluoro-4-hydroxyphenyl)methylamino]butanamide?
The IUPAC name of N-cyclopropyl-4-[(3-fluoro-4-hydroxyphenyl)methylamino]butanamide (CID 107685855) is N-cyclopropyl-4-[(3-fluoro-4-hydroxyphenyl)methylamino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[(3-fluoro-4-hydroxyphenyl)methylamino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[(3-fluoro-4-hydroxyphenyl)methylamino]butanamide is O=C(CCCNCc1ccc(O)c(F)c1)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-[(3-fluoro-4-hydroxyphenyl)methylamino]butanamide?
The InChIKey is NXOLRNUBZFYNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c15-12-8-10(3-6-13(12)18)9-16-7-1-2-14(19)17-11-4-5-11/h3,6,8,11,16,18H,1-2,4-5,7,9H2,(H,17,19).
What are the key properties of N-cyclopropyl-4-[(3-fluoro-4-hydroxyphenyl)methylamino]butanamide?
N-cyclopropyl-4-[(3-fluoro-4-hydroxyphenyl)methylamino]butanamide has a molecular weight of 266.32 g/mol, XLogP of 1.68, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(3-fluoro-4-hydroxyphenyl)methylamino]butanamide is sourced from PubChem (CID 107685855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).