N-[4-amino-2-chloro-5-(4-phenylmethoxyphenoxy)phenyl]acetamide

C21H19ClN2O3 — CID 22120959

IUPACN-[4-amino-2-chloro-5-(4-phenylmethoxyphenoxy)phenyl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccc(OCc3ccccc3)cc2)c(N)cc1Cl
InChIInChI=1S/C21H19ClN2O3/c1-14(25)24-20-12-21(19(23)11-18(20)22)27-17-9-7-16(8-10-17)26-13-15-5-3-2-4-6-15/h2-12H,13,23H2,1H3,(H,24,25)
InChIKeyJWNSNSXISSCUEH-UHFFFAOYSA-N
MW382.85 g/mol
LogP5.25
Rot. Bonds6

About N-[4-amino-2-chloro-5-(4-phenylmethoxyphenoxy)phenyl]acetamide

N-[4-amino-2-chloro-5-(4-phenylmethoxyphenoxy)phenyl]acetamide (PubChem CID 22120959) has the molecular formula C21H19ClN2O3 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-[4-amino-2-chloro-5-(4-phenylmethoxyphenoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-amino-2-chloro-5-(4-phenylmethoxyphenoxy)phenyl]acetamide
PubChem CID22120959
Molecular FormulaC21H19ClN2O3
Molecular Weight382.85 g/mol
Exact Mass382.11
IUPAC NameN-[4-amino-2-chloro-5-(4-phenylmethoxyphenoxy)phenyl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccc(OCc3ccccc3)cc2)c(N)cc1Cl
InChIInChI=1S/C21H19ClN2O3/c1-14(25)24-20-12-21(19(23)11-18(20)22)27-17-9-7-16(8-10-17)26-13-15-5-3-2-4-6-15/h2-12H,13,23H2,1H3,(H,24,25)
InChIKeyJWNSNSXISSCUEH-UHFFFAOYSA-N
XLogP5.25
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.85
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-chloro-5-ethoxyphenyl)benzamide
CID 23464367
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-phenylmethoxybenzamide
CID 46443447
N-(7-phenylmethoxynaphthalen-1-yl)acetamide
CID 91699937
ethyl 2-(2-acetamido-4-phenylmethoxyphenyl)acetate
CID 86073966
N-(4-acetyl-2-phenoxy-5-phenylmethoxyphenyl)methanesulfonamide
CID 10549566
N-(2-chlorophenyl)-4-phenylmethoxybenzamide
CID 1121131
N-(2-chloro-4,5-diethoxyphenyl)-2-phenylacetamide
CID 852877
4-(2-amino-4-phenylmethoxyphenoxy)phenol;1-chloro-2-nitro-4-phenylmethoxybenzene
CID 161337869
methyl 2-[2-acetamido-4-(4-phenylmethoxyphenyl)phenyl]acetate
CID 59509332
N-(4-methyl-2-phenylmethoxyphenyl)acetamide
CID 47311961
acetamido 4-phenylmethoxybenzoate
CID 174287466
5-(difluoromethyl)-2-(4-phenylmethoxyphenoxy)aniline
CID 141002998

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2-chloro-5-(4-phenylmethoxyphenoxy)phenyl]acetamide?
The IUPAC name of N-[4-amino-2-chloro-5-(4-phenylmethoxyphenoxy)phenyl]acetamide (CID 22120959) is N-[4-amino-2-chloro-5-(4-phenylmethoxyphenoxy)phenyl]acetamide.
What is the SMILES notation for N-[4-amino-2-chloro-5-(4-phenylmethoxyphenoxy)phenyl]acetamide?
The canonical SMILES for N-[4-amino-2-chloro-5-(4-phenylmethoxyphenoxy)phenyl]acetamide is CC(=O)Nc1cc(Oc2ccc(OCc3ccccc3)cc2)c(N)cc1Cl.
What is the InChIKey of N-[4-amino-2-chloro-5-(4-phenylmethoxyphenoxy)phenyl]acetamide?
The InChIKey is JWNSNSXISSCUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3/c1-14(25)24-20-12-21(19(23)11-18(20)22)27-17-9-7-16(8-10-17)26-13-15-5-3-2-4-6-15/h2-12H,13,23H2,1H3,(H,24,25).
What are the key properties of N-[4-amino-2-chloro-5-(4-phenylmethoxyphenoxy)phenyl]acetamide?
N-[4-amino-2-chloro-5-(4-phenylmethoxyphenoxy)phenyl]acetamide has a molecular weight of 382.85 g/mol, XLogP of 5.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-2-chloro-5-(4-phenylmethoxyphenoxy)phenyl]acetamide is sourced from PubChem (CID 22120959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).