3-[4-[(3-chloro-2-hydroxypropyl)amino]phenoxy]-N-methylbenzamide

C17H19ClN2O3 — CID 168639757

IUPAC3-[4-[(3-chloro-2-hydroxypropyl)amino]phenoxy]-N-methylbenzamide
SMILESCNC(=O)c1cccc(Oc2ccc(NCC(O)CCl)cc2)c1
InChIInChI=1S/C17H19ClN2O3/c1-19-17(22)12-3-2-4-16(9-12)23-15-7-5-13(6-8-15)20-11-14(21)10-18/h2-9,14,20-21H,10-11H2,1H3,(H,19,22)
InChIKeyZFZNDEKVMZZJBI-UHFFFAOYSA-N
MW334.80 g/mol
LogP2.85
Rot. Bonds7

About 3-[4-[(3-chloro-2-hydroxypropyl)amino]phenoxy]-N-methylbenzamide

3-[4-[(3-chloro-2-hydroxypropyl)amino]phenoxy]-N-methylbenzamide (PubChem CID 168639757) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is 3-[4-[(3-chloro-2-hydroxypropyl)amino]phenoxy]-N-methylbenzamide.

Molecular Properties

Compound Name3-[4-[(3-chloro-2-hydroxypropyl)amino]phenoxy]-N-methylbenzamide
PubChem CID168639757
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name3-[4-[(3-chloro-2-hydroxypropyl)amino]phenoxy]-N-methylbenzamide
SMILESCNC(=O)c1cccc(Oc2ccc(NCC(O)CCl)cc2)c1
InChIInChI=1S/C17H19ClN2O3/c1-19-17(22)12-3-2-4-16(9-12)23-15-7-5-13(6-8-15)20-11-14(21)10-18/h2-9,14,20-21H,10-11H2,1H3,(H,19,22)
InChIKeyZFZNDEKVMZZJBI-UHFFFAOYSA-N
XLogP2.85
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[4-[(3-chloro-2-hydroxypropyl)amino]phenoxy]-N-methylbenzamide 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

1-chloro-3-(3-phenoxyanilino)propan-2-ol
CID 168636658
3-(4-bromophenoxy)-N-methylbenzamide
CID 169337021
3-[(3-chloro-2-hydroxypropyl)amino]-N-(4-methylphenyl)benzamide
CID 168638185
N-(4-phenoxyphenyl)-3-propan-2-yloxybenzamide
CID 8779117
3-(4-cyanophenoxy)-N-(2-hydroxypropyl)benzamide
CID 111469744
N-[3-[(3-chloro-2-hydroxypropyl)amino]phenyl]benzamide
CID 168636757
[3-[3-(methylcarbamoyl)phenoxy]phenyl]-propan-2-ylcarbamic acid
CID 175210839
3-methoxy-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980344
3-[(3-chloro-2-hydroxypropyl)amino]-N-(2-methylphenyl)benzamide
CID 168638216
N-methyl-3-(2-methylphenoxy)benzamide
CID 143860787
N-(4-acetamidophenyl)-3-phenoxybenzamide
CID 2483771
2-[[3-(4-propan-2-ylphenoxy)benzoyl]amino]acetic acid
CID 170962981

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-chloro-2-hydroxypropyl)amino]phenoxy]-N-methylbenzamide?
The IUPAC name of 3-[4-[(3-chloro-2-hydroxypropyl)amino]phenoxy]-N-methylbenzamide (CID 168639757) is 3-[4-[(3-chloro-2-hydroxypropyl)amino]phenoxy]-N-methylbenzamide.
What is the SMILES notation for 3-[4-[(3-chloro-2-hydroxypropyl)amino]phenoxy]-N-methylbenzamide?
The canonical SMILES for 3-[4-[(3-chloro-2-hydroxypropyl)amino]phenoxy]-N-methylbenzamide is CNC(=O)c1cccc(Oc2ccc(NCC(O)CCl)cc2)c1.
What is the InChIKey of 3-[4-[(3-chloro-2-hydroxypropyl)amino]phenoxy]-N-methylbenzamide?
The InChIKey is ZFZNDEKVMZZJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-19-17(22)12-3-2-4-16(9-12)23-15-7-5-13(6-8-15)20-11-14(21)10-18/h2-9,14,20-21H,10-11H2,1H3,(H,19,22).
What are the key properties of 3-[4-[(3-chloro-2-hydroxypropyl)amino]phenoxy]-N-methylbenzamide?
3-[4-[(3-chloro-2-hydroxypropyl)amino]phenoxy]-N-methylbenzamide has a molecular weight of 334.80 g/mol, XLogP of 2.85, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-chloro-2-hydroxypropyl)amino]phenoxy]-N-methylbenzamide is sourced from PubChem (CID 168639757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).