3-amino-2-(4-fluorophenyl)-N-[4-(2-hydroxycyclohexyl)oxyphenyl]propanamide;hydrochloride

C21H26ClFN2O3 — CID 120634360

IUPAC3-amino-2-(4-fluorophenyl)-N-[4-(2-hydroxycyclohexyl)oxyphenyl]propanamide;hydrochloride
SMILESCl.NCC(C(=O)Nc1ccc(OC2CCCCC2O)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H25FN2O3.ClH/c22-15-7-5-14(6-8-15)18(13-23)21(26)24-16-9-11-17(12-10-16)27-20-4-2-1-3-19(20)25;/h5-12,18-20,25H,1-4,13,23H2,(H,24,26);1H
InChIKeyUENZQOIAQLKULK-UHFFFAOYSA-N
MW408.90 g/mol
LogP3.61
Rot. Bonds6

About 3-amino-2-(4-fluorophenyl)-N-[4-(2-hydroxycyclohexyl)oxyphenyl]propanamide;hydrochloride

3-amino-2-(4-fluorophenyl)-N-[4-(2-hydroxycyclohexyl)oxyphenyl]propanamide;hydrochloride (PubChem CID 120634360) has the molecular formula C21H26ClFN2O3 and a molecular weight of 408.90 g/mol. Its IUPAC name is 3-amino-2-(4-fluorophenyl)-N-[4-(2-hydroxycyclohexyl)oxyphenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-2-(4-fluorophenyl)-N-[4-(2-hydroxycyclohexyl)oxyphenyl]propanamide;hydrochloride
PubChem CID120634360
Molecular FormulaC21H26ClFN2O3
Molecular Weight408.90 g/mol
Exact Mass408.16
IUPAC Name3-amino-2-(4-fluorophenyl)-N-[4-(2-hydroxycyclohexyl)oxyphenyl]propanamide;hydrochloride
SMILESCl.NCC(C(=O)Nc1ccc(OC2CCCCC2O)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H25FN2O3.ClH/c22-15-7-5-14(6-8-15)18(13-23)21(26)24-16-9-11-17(12-10-16)27-20-4-2-1-3-19(20)25;/h5-12,18-20,25H,1-4,13,23H2,(H,24,26);1H
InChIKeyUENZQOIAQLKULK-UHFFFAOYSA-N
XLogP3.61
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.90
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]propanamide
CID 119329344
(2R)-2-ethoxy-N-[4-[(1S,2S)-2-hydroxycyclohexyl]oxyphenyl]propanamide
CID 95772065
2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-(oxan-4-yl)acetamide
CID 120794064
N-[4-(2-hydroxycyclohexyl)oxyphenyl]propanamide
CID 111428793
2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methylpropanamide
CID 119329332
cis-(1S,2R)-2-[4-[[(1S)-1-(3,5-difluorophenyl)ethyl]amino]phenoxy]cyclohexan-1-ol
CID 124744406
2-(cyclopropylmethylamino)-N-[4-(2-hydroxycyclohexyl)oxyphenyl]acetamide;hydrochloride
CID 119793780
3-amino-2-(4-fluorophenyl)-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide
CID 156562793
2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]cyclooctane-1-carboxamide
CID 119793771
N-[4-[(3-amino-2-phenylpropanoyl)amino]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119700127
3-amino-2-(4-cyclopentyloxyphenyl)propanoic acid
CID 117376397
3-amino-N-ethyl-2-(4-fluorophenyl)propanamide;hydrochloride
CID 120616335

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-fluorophenyl)-N-[4-(2-hydroxycyclohexyl)oxyphenyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-2-(4-fluorophenyl)-N-[4-(2-hydroxycyclohexyl)oxyphenyl]propanamide;hydrochloride (CID 120634360) is 3-amino-2-(4-fluorophenyl)-N-[4-(2-hydroxycyclohexyl)oxyphenyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-2-(4-fluorophenyl)-N-[4-(2-hydroxycyclohexyl)oxyphenyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-2-(4-fluorophenyl)-N-[4-(2-hydroxycyclohexyl)oxyphenyl]propanamide;hydrochloride is Cl.NCC(C(=O)Nc1ccc(OC2CCCCC2O)cc1)c1ccc(F)cc1.
What is the InChIKey of 3-amino-2-(4-fluorophenyl)-N-[4-(2-hydroxycyclohexyl)oxyphenyl]propanamide;hydrochloride?
The InChIKey is UENZQOIAQLKULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3.ClH/c22-15-7-5-14(6-8-15)18(13-23)21(26)24-16-9-11-17(12-10-16)27-20-4-2-1-3-19(20)25;/h5-12,18-20,25H,1-4,13,23H2,(H,24,26);1H.
What are the key properties of 3-amino-2-(4-fluorophenyl)-N-[4-(2-hydroxycyclohexyl)oxyphenyl]propanamide;hydrochloride?
3-amino-2-(4-fluorophenyl)-N-[4-(2-hydroxycyclohexyl)oxyphenyl]propanamide;hydrochloride has a molecular weight of 408.90 g/mol, XLogP of 3.61, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-fluorophenyl)-N-[4-(2-hydroxycyclohexyl)oxyphenyl]propanamide;hydrochloride is sourced from PubChem (CID 120634360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).