N-(2-amino-4-chlorophenyl)-2-[4-(hydroxymethyl)phenoxy]acetamide

C15H15ClN2O3 — CID 61229132

IUPACN-(2-amino-4-chlorophenyl)-2-[4-(hydroxymethyl)phenoxy]acetamide
SMILESNc1cc(Cl)ccc1NC(=O)COc1ccc(CO)cc1
InChIInChI=1S/C15H15ClN2O3/c16-11-3-6-14(13(17)7-11)18-15(20)9-21-12-4-1-10(8-19)2-5-12/h1-7,19H,8-9,17H2,(H,18,20)
InChIKeyPIGGAOZJLRNIOV-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.43
Rot. Bonds5

About N-(2-amino-4-chlorophenyl)-2-[4-(hydroxymethyl)phenoxy]acetamide

N-(2-amino-4-chlorophenyl)-2-[4-(hydroxymethyl)phenoxy]acetamide (PubChem CID 61229132) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-2-[4-(hydroxymethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-2-[4-(hydroxymethyl)phenoxy]acetamide
PubChem CID61229132
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC NameN-(2-amino-4-chlorophenyl)-2-[4-(hydroxymethyl)phenoxy]acetamide
SMILESNc1cc(Cl)ccc1NC(=O)COc1ccc(CO)cc1
InChIInChI=1S/C15H15ClN2O3/c16-11-3-6-14(13(17)7-11)18-15(20)9-21-12-4-1-10(8-19)2-5-12/h1-7,19H,8-9,17H2,(H,18,20)
InChIKeyPIGGAOZJLRNIOV-UHFFFAOYSA-N
XLogP2.43
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-chlorophenyl)-2-(4-tert-butylphenoxy)acetamide
CID 91688991
N-(2-aminophenyl)-2-(4-chlorophenoxy)acetamide
CID 16786707
N-(2-amino-4-chlorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 29045302
N-(2-amino-5-chlorophenyl)-2-(4-cyanophenoxy)acetamide
CID 29050645
N-(2-amino-4-chlorophenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 28867327
N-(2-amino-4-chlorophenyl)-2-ethoxyacetamide
CID 16791800
N-[4-chloro-2-[(2-phenoxyacetyl)amino]phenyl]-2-phenoxyacetamide
CID 1247989
N-(5-amino-2-chlorophenyl)-2-(4-chlorophenoxy)acetamide
CID 28867019
N-(2-amino-5-chlorophenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 63878984
N-(4-amino-5-chloro-2-methylphenyl)-2-(4-chlorophenoxy)acetamide
CID 104667598
N-(2-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 63880194
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 7750749

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-2-[4-(hydroxymethyl)phenoxy]acetamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-2-[4-(hydroxymethyl)phenoxy]acetamide (CID 61229132) is N-(2-amino-4-chlorophenyl)-2-[4-(hydroxymethyl)phenoxy]acetamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-2-[4-(hydroxymethyl)phenoxy]acetamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-2-[4-(hydroxymethyl)phenoxy]acetamide is Nc1cc(Cl)ccc1NC(=O)COc1ccc(CO)cc1.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-2-[4-(hydroxymethyl)phenoxy]acetamide?
The InChIKey is PIGGAOZJLRNIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c16-11-3-6-14(13(17)7-11)18-15(20)9-21-12-4-1-10(8-19)2-5-12/h1-7,19H,8-9,17H2,(H,18,20).
What are the key properties of N-(2-amino-4-chlorophenyl)-2-[4-(hydroxymethyl)phenoxy]acetamide?
N-(2-amino-4-chlorophenyl)-2-[4-(hydroxymethyl)phenoxy]acetamide has a molecular weight of 306.75 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chlorophenyl)-2-[4-(hydroxymethyl)phenoxy]acetamide is sourced from PubChem (CID 61229132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).