N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-methoxybenzamide

C18H19ClN2O4 — CID 40718388

IUPACN-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCNC(=O)COc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H19ClN2O4/c1-24-16-4-2-3-13(11-16)18(23)21-10-9-20-17(22)12-25-15-7-5-14(19)6-8-15/h2-8,11H,9-10,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyCNDATPPSYLROLR-UHFFFAOYSA-N
MW362.81 g/mol
LogP2.27
Rot. Bonds8

About N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-methoxybenzamide

N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-methoxybenzamide (PubChem CID 40718388) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-methoxybenzamide
PubChem CID40718388
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC NameN-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCNC(=O)COc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H19ClN2O4/c1-24-16-4-2-3-13(11-16)18(23)21-10-9-20-17(22)12-25-15-7-5-14(19)6-8-15/h2-8,11H,9-10,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyCNDATPPSYLROLR-UHFFFAOYSA-N
XLogP2.27
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]benzamide
CID 108539217
N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-fluorobenzamide
CID 108542091
methyl 3-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethoxy]benzoate
CID 8806513
3-methoxy-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
CID 108539227
3-methoxy-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 40718391
methyl N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]carbamate
CID 108573294
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
2-chloro-N-[2-[(3-methoxybenzoyl)amino]ethyl]benzamide
CID 7354272
2-(4-chlorophenoxy)-N-[2-(2,4-dimethoxyphenyl)ethyl]acetamide
CID 110601482
4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 113098173
3-methoxy-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761263
N-[2-(3-chlorophenyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
CID 27838613

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-methoxybenzamide?
The IUPAC name of N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-methoxybenzamide (CID 40718388) is N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-methoxybenzamide is COc1cccc(C(=O)NCCNC(=O)COc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-methoxybenzamide?
The InChIKey is CNDATPPSYLROLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-24-16-4-2-3-13(11-16)18(23)21-10-9-20-17(22)12-25-15-7-5-14(19)6-8-15/h2-8,11H,9-10,12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-methoxybenzamide?
N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-methoxybenzamide has a molecular weight of 362.81 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-methoxybenzamide is sourced from PubChem (CID 40718388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).