4-amino-N-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-(1H-pyrazol-4-yl)butanamide

C15H18ClFN4O2 — CID 166343817

IUPAC4-amino-N-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-(1H-pyrazol-4-yl)butanamide
SMILESNCCC(C(=O)NC(CO)c1ccc(F)c(Cl)c1)c1cn[nH]c1
InChIInChI=1S/C15H18ClFN4O2/c16-12-5-9(1-2-13(12)17)14(8-22)21-15(23)11(3-4-18)10-6-19-20-7-10/h1-2,5-7,11,14,22H,3-4,8,18H2,(H,19,20)(H,21,23)
InChIKeyMNNIQEDLNDNMJY-UHFFFAOYSA-N
MW340.79 g/mol
LogP1.48
Rot. Bonds7

About 4-amino-N-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-(1H-pyrazol-4-yl)butanamide

4-amino-N-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-(1H-pyrazol-4-yl)butanamide (PubChem CID 166343817) has the molecular formula C15H18ClFN4O2 and a molecular weight of 340.79 g/mol. Its IUPAC name is 4-amino-N-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-(1H-pyrazol-4-yl)butanamide.

Molecular Properties

Compound Name4-amino-N-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-(1H-pyrazol-4-yl)butanamide
PubChem CID166343817
Molecular FormulaC15H18ClFN4O2
Molecular Weight340.79 g/mol
Exact Mass340.11
IUPAC Name4-amino-N-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-(1H-pyrazol-4-yl)butanamide
SMILESNCCC(C(=O)NC(CO)c1ccc(F)c(Cl)c1)c1cn[nH]c1
InChIInChI=1S/C15H18ClFN4O2/c16-12-5-9(1-2-13(12)17)14(8-22)21-15(23)11(3-4-18)10-6-19-20-7-10/h1-2,5-7,11,14,22H,3-4,8,18H2,(H,19,20)(H,21,23)
InChIKeyMNNIQEDLNDNMJY-UHFFFAOYSA-N
XLogP1.48
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.79
LogP ≤ 51.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]acetamide
CID 147274817
N-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]acetamide;ethane
CID 142863332
(2R)-2-(3-chloro-4-fluorophenyl)-2-(hydroxyamino)ethanol
CID 130642918
N-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide
CID 157294657
N-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-pyrrole-2-carboxamide
CID 118879872
3-chloro-4-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103944456
[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]carbamic acid
CID 138733242
(1S)-3-amino-1-(3-chloro-4-fluorophenyl)propan-1-ol
CID 96845808
CID 169205976
CID 169205976
CID 169205888
CID 169205888
N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[4-[3-chloro-4-(methanesulfonamidomethyl)phenyl]-1H-pyrazol-5-yl]-1H-pyrrole-2-carboxamide
CID 135547993
3-(2-chloro-4-fluorophenyl)-2-(1H-pyrazol-4-yl)propanamide
CID 90980328

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-(1H-pyrazol-4-yl)butanamide?
The IUPAC name of 4-amino-N-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-(1H-pyrazol-4-yl)butanamide (CID 166343817) is 4-amino-N-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-(1H-pyrazol-4-yl)butanamide.
What is the SMILES notation for 4-amino-N-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-(1H-pyrazol-4-yl)butanamide?
The canonical SMILES for 4-amino-N-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-(1H-pyrazol-4-yl)butanamide is NCCC(C(=O)NC(CO)c1ccc(F)c(Cl)c1)c1cn[nH]c1.
What is the InChIKey of 4-amino-N-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-(1H-pyrazol-4-yl)butanamide?
The InChIKey is MNNIQEDLNDNMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN4O2/c16-12-5-9(1-2-13(12)17)14(8-22)21-15(23)11(3-4-18)10-6-19-20-7-10/h1-2,5-7,11,14,22H,3-4,8,18H2,(H,19,20)(H,21,23).
What are the key properties of 4-amino-N-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-(1H-pyrazol-4-yl)butanamide?
4-amino-N-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-(1H-pyrazol-4-yl)butanamide has a molecular weight of 340.79 g/mol, XLogP of 1.48, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-(1H-pyrazol-4-yl)butanamide is sourced from PubChem (CID 166343817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).