N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-methylphenyl]acetamide

C12H17ClN2O2 — CID 168636852

IUPACN-[2-[(3-chloro-2-hydroxypropyl)amino]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)cc1NCC(O)CCl
InChIInChI=1S/C12H17ClN2O2/c1-8-3-4-11(15-9(2)16)12(5-8)14-7-10(17)6-13/h3-5,10,14,17H,6-7H2,1-2H3,(H,15,16)
InChIKeyCYJHPNSEAFVJLS-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.97
Rot. Bonds5

About N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-methylphenyl]acetamide

N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-methylphenyl]acetamide (PubChem CID 168636852) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3-chloro-2-hydroxypropyl)amino]-4-methylphenyl]acetamide
PubChem CID168636852
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC NameN-[2-[(3-chloro-2-hydroxypropyl)amino]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)cc1NCC(O)CCl
InChIInChI=1S/C12H17ClN2O2/c1-8-3-4-11(15-9(2)16)12(5-8)14-7-10(17)6-13/h3-5,10,14,17H,6-7H2,1-2H3,(H,15,16)
InChIKeyCYJHPNSEAFVJLS-UHFFFAOYSA-N
XLogP1.97
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,3-dihydroxypropylamino)-4-methylphenyl]acetamide
CID 168593503
N-[3-[(3-chloro-2-hydroxypropyl)amino]-2,6-dimethylphenyl]acetamide
CID 168638082
N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-fluoro-6-methylphenyl]acetamide
CID 168638760
1-chloro-3-[4-methyl-2-(2,2,2-trifluoroethoxy)anilino]propan-2-ol
CID 168638588
4-(2-chloro-4-methylanilino)-3-hydroxybutanoic acid
CID 103236425
N-[2-(2,3-dihydroxypropylamino)phenyl]acetamide
CID 168596792
4-[(3-chloro-2-hydroxypropyl)amino]-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 168638523
(3R)-N-(2-acetamido-5-methylphenyl)-3-(4-chlorophenyl)-3-hydroxypropanamide
CID 97117715
N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-methoxyphenyl]-2-methoxyacetamide
CID 168637210
1-(2-chloro-5-methylanilino)butan-2-ol
CID 107634619
[2-[(3-chloro-2-hydroxypropyl)amino]phenyl]-(4-methylphenyl)methanone
CID 168640456
N-(2-ethyl-4-methylphenyl)acetamide
CID 89198969

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-methylphenyl]acetamide?
The IUPAC name of N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-methylphenyl]acetamide (CID 168636852) is N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-methylphenyl]acetamide.
What is the SMILES notation for N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-methylphenyl]acetamide?
The canonical SMILES for N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-methylphenyl]acetamide is CC(=O)Nc1ccc(C)cc1NCC(O)CCl.
What is the InChIKey of N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-methylphenyl]acetamide?
The InChIKey is CYJHPNSEAFVJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-8-3-4-11(15-9(2)16)12(5-8)14-7-10(17)6-13/h3-5,10,14,17H,6-7H2,1-2H3,(H,15,16).
What are the key properties of N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-methylphenyl]acetamide?
N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-methylphenyl]acetamide has a molecular weight of 256.73 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-methylphenyl]acetamide is sourced from PubChem (CID 168636852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).