N-butan-2-yl-3-(5-chloro-2-hydroxyphenyl)-3-phenylpropanamide

C19H22ClNO2 — CID 4171199

IUPACN-butan-2-yl-3-(5-chloro-2-hydroxyphenyl)-3-phenylpropanamide
SMILESCCC(C)NC(=O)CC(c1ccccc1)c1cc(Cl)ccc1O
InChIInChI=1S/C19H22ClNO2/c1-3-13(2)21-19(23)12-16(14-7-5-4-6-8-14)17-11-15(20)9-10-18(17)22/h4-11,13,16,22H,3,12H2,1-2H3,(H,21,23)
InChIKeySUBHKUZTUIHMJA-UHFFFAOYSA-N
MW331.84 g/mol
LogP4.48
Rot. Bonds6

About N-butan-2-yl-3-(5-chloro-2-hydroxyphenyl)-3-phenylpropanamide

N-butan-2-yl-3-(5-chloro-2-hydroxyphenyl)-3-phenylpropanamide (PubChem CID 4171199) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is N-butan-2-yl-3-(5-chloro-2-hydroxyphenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(5-chloro-2-hydroxyphenyl)-3-phenylpropanamide
PubChem CID4171199
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC NameN-butan-2-yl-3-(5-chloro-2-hydroxyphenyl)-3-phenylpropanamide
SMILESCCC(C)NC(=O)CC(c1ccccc1)c1cc(Cl)ccc1O
InChIInChI=1S/C19H22ClNO2/c1-3-13(2)21-19(23)12-16(14-7-5-4-6-8-14)17-11-15(20)9-10-18(17)22/h4-11,13,16,22H,3,12H2,1-2H3,(H,21,23)
InChIKeySUBHKUZTUIHMJA-UHFFFAOYSA-N
XLogP4.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-butan-2-yl-3-(5-chloro-2-hydroxyphenyl)-3-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(5-chloro-2-hydroxyphenyl)-3-phenylpropanamide?
The IUPAC name of N-butan-2-yl-3-(5-chloro-2-hydroxyphenyl)-3-phenylpropanamide (CID 4171199) is N-butan-2-yl-3-(5-chloro-2-hydroxyphenyl)-3-phenylpropanamide.
What is the SMILES notation for N-butan-2-yl-3-(5-chloro-2-hydroxyphenyl)-3-phenylpropanamide?
The canonical SMILES for N-butan-2-yl-3-(5-chloro-2-hydroxyphenyl)-3-phenylpropanamide is CCC(C)NC(=O)CC(c1ccccc1)c1cc(Cl)ccc1O.
What is the InChIKey of N-butan-2-yl-3-(5-chloro-2-hydroxyphenyl)-3-phenylpropanamide?
The InChIKey is SUBHKUZTUIHMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-3-13(2)21-19(23)12-16(14-7-5-4-6-8-14)17-11-15(20)9-10-18(17)22/h4-11,13,16,22H,3,12H2,1-2H3,(H,21,23).
What are the key properties of N-butan-2-yl-3-(5-chloro-2-hydroxyphenyl)-3-phenylpropanamide?
N-butan-2-yl-3-(5-chloro-2-hydroxyphenyl)-3-phenylpropanamide has a molecular weight of 331.84 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(5-chloro-2-hydroxyphenyl)-3-phenylpropanamide is sourced from PubChem (CID 4171199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).