2-chloro-N-[4-[2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]acetamide

C25H20ClNO3 — CID 70231169

IUPAC2-chloro-N-[4-[2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]acetamide
SMILESCOc1cccc(-c2ccc3ccccc3c2Oc2ccc(NC(=O)CCl)cc2)c1
InChIInChI=1S/C25H20ClNO3/c1-29-21-7-4-6-18(15-21)23-14-9-17-5-2-3-8-22(17)25(23)30-20-12-10-19(11-13-20)27-24(28)16-26/h2-15H,16H2,1H3,(H,27,28)
InChIKeySMSFKIAZHHFYNW-UHFFFAOYSA-N
MW417.89 g/mol
LogP6.49
Rot. Bonds6

About 2-chloro-N-[4-[2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]acetamide

2-chloro-N-[4-[2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]acetamide (PubChem CID 70231169) has the molecular formula C25H20ClNO3 and a molecular weight of 417.89 g/mol. Its IUPAC name is 2-chloro-N-[4-[2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-[2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]acetamide
PubChem CID70231169
Molecular FormulaC25H20ClNO3
Molecular Weight417.89 g/mol
Exact Mass417.11
IUPAC Name2-chloro-N-[4-[2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]acetamide
SMILESCOc1cccc(-c2ccc3ccccc3c2Oc2ccc(NC(=O)CCl)cc2)c1
InChIInChI=1S/C25H20ClNO3/c1-29-21-7-4-6-18(15-21)23-14-9-17-5-2-3-8-22(17)25(23)30-20-12-10-19(11-13-20)27-24(28)16-26/h2-15H,16H2,1H3,(H,27,28)
InChIKeySMSFKIAZHHFYNW-UHFFFAOYSA-N
XLogP6.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.89
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_B(4)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(E)-4-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]but-3-enoic acid
CID 70015260
2-chloro-N-[4-(4-methoxyanilino)phenyl]acetamide
CID 13013378
2-chloro-N-[4-(2-methoxyphenoxy)phenyl]acetamide
CID 39398752
ethyl 3-[4-[6-methoxy-2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]prop-2-enoate
CID 70017459
2-chloro-N-[4-(3-fluorophenoxy)phenyl]acetamide
CID 39379903
(4-hydroxyphenyl)-[2-(3-methoxyphenyl)naphthalen-1-yl]methanone
CID 19362229
N-(4-methoxyphenyl)-3-(4-phenoxyanilino)propanamide
CID 109039635
3-(4-methoxyanilino)-N-(4-phenoxyphenyl)propanamide
CID 109039699
N-(4-methoxyphenyl)-2-naphthalen-1-yloxyacetamide
CID 835733
2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(4-phenoxyphenyl)acetamide
CID 16879011
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)acetamide
CID 833180
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]acetamide?
The IUPAC name of 2-chloro-N-[4-[2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]acetamide (CID 70231169) is 2-chloro-N-[4-[2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-[2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-[2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]acetamide is COc1cccc(-c2ccc3ccccc3c2Oc2ccc(NC(=O)CCl)cc2)c1.
What is the InChIKey of 2-chloro-N-[4-[2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]acetamide?
The InChIKey is SMSFKIAZHHFYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClNO3/c1-29-21-7-4-6-18(15-21)23-14-9-17-5-2-3-8-22(17)25(23)30-20-12-10-19(11-13-20)27-24(28)16-26/h2-15H,16H2,1H3,(H,27,28).
What are the key properties of 2-chloro-N-[4-[2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]acetamide?
2-chloro-N-[4-[2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]acetamide has a molecular weight of 417.89 g/mol, XLogP of 6.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[2-(3-methoxyphenyl)naphthalen-1-yl]oxyphenyl]acetamide is sourced from PubChem (CID 70231169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).