N-[4-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)anilino]propanamide

C17H18F2N2O3 — CID 110878851

IUPACN-[4-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)anilino]propanamide
SMILESCC(Nc1cccc(CO)c1)C(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H18F2N2O3/c1-11(20-14-4-2-3-12(9-14)10-22)16(23)21-13-5-7-15(8-6-13)24-17(18)19/h2-9,11,17,20,22H,10H2,1H3,(H,21,23)
InChIKeyIUSKZUNSJKQBKU-UHFFFAOYSA-N
MW336.34 g/mol
LogP3.22
Rot. Bonds7

About N-[4-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)anilino]propanamide

N-[4-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)anilino]propanamide (PubChem CID 110878851) has the molecular formula C17H18F2N2O3 and a molecular weight of 336.34 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)anilino]propanamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)anilino]propanamide
PubChem CID110878851
Molecular FormulaC17H18F2N2O3
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)anilino]propanamide
SMILESCC(Nc1cccc(CO)c1)C(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H18F2N2O3/c1-11(20-14-4-2-3-12(9-14)10-22)16(23)21-13-5-7-15(8-6-13)24-17(18)19/h2-9,11,17,20,22H,10H2,1H3,(H,21,23)
InChIKeyIUSKZUNSJKQBKU-UHFFFAOYSA-N
XLogP3.22
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)anilino]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-N-[4-(dimethylamino)phenyl]-2-[3-(hydroxymethyl)anilino]propanamide
CID 9299409
N-(3-fluorophenyl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 110880177
N-[4-(difluoromethoxy)phenyl]-2-(4-methoxyanilino)propanamide
CID 17464128
N-(3-bromophenyl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 110880174
2-[4-(difluoromethoxy)phenyl]-N-[3-(hydroxymethyl)phenyl]acetamide
CID 110879156
[3-[1-[3-(difluoromethoxy)phenyl]ethylamino]phenyl]methanol
CID 43714977
2-(3-ethylanilino)-N-(4-methylphenyl)propanamide
CID 60638712
N-(2-ethoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 110880183
2-[3-(hydroxymethyl)anilino]-N-(2,2,2-trifluoroethyl)propanamide
CID 110877911
2-[3-(difluoromethoxy)-4-methoxyanilino]-N-phenylpropanamide
CID 24652292
2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(4-methoxyphenyl)propanamide
CID 134039312
(2S)-2-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 32554575

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)anilino]propanamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)anilino]propanamide (CID 110878851) is N-[4-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)anilino]propanamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)anilino]propanamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)anilino]propanamide is CC(Nc1cccc(CO)c1)C(=O)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)anilino]propanamide?
The InChIKey is IUSKZUNSJKQBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3/c1-11(20-14-4-2-3-12(9-14)10-22)16(23)21-13-5-7-15(8-6-13)24-17(18)19/h2-9,11,17,20,22H,10H2,1H3,(H,21,23).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)anilino]propanamide?
N-[4-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)anilino]propanamide has a molecular weight of 336.34 g/mol, XLogP of 3.22, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)anilino]propanamide is sourced from PubChem (CID 110878851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).